--- trunk/src/mdParser/MDParser.cpp	2008/07/14 12:35:58	1277
+++ trunk/src/mdParser/MDParser.cpp	2014/04/05 20:56:01	1979
@@ -1,4 +1,4 @@
-/* $ANTLR 2.7.7 (20080702): "MDParser.g" -> "MDParser.cpp"$ */
+/* $ANTLR 2.7.7 (20140107): "MDParser.g" -> "MDParser.cpp"$ */
 #include "MDParser.hpp"
 #include <antlr/NoViableAltException.hpp>
 #include <antlr/SemanticException.hpp>
@@ -89,6 +89,34 @@ void MDParser::statement() {
 		case ZCONSTRAINT:
 		{
 			zconstraintblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
+		case RESTRAINT:
+		{
+			restraintblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
+		case FLUCQ:
+		{
+			flucqblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
+		case RNEMD:
+		{
+			rnemdblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			statement_AST = currentAST.root;
+			break;
+		}
+		case MINIMIZER:
+		{
+			minimizerblock();
 			astFactory->addASTChild( currentAST, returnAST );
 			statement_AST = currentAST.root;
 			break;
@@ -160,9 +188,9 @@ void MDParser::componentblock() {
 		tmp6_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp6_AST);
 		match(RCURLY);
-#line 65 "MDParser.g"
+#line 77 "MDParser.g"
 		tmp6_AST->setType(ENDBLOCK);
-#line 166 "MDParser.cpp"
+#line 194 "MDParser.cpp"
 		componentblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -190,19 +218,19 @@ void MDParser::moleculeblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop15;
+				goto _loop27;
 			}
 			
 		}
-		_loop15:;
+		_loop27:;
 		} // ( ... )*
 		ANTLR_USE_NAMESPACE(antlr)RefAST tmp9_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 		tmp9_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp9_AST);
 		match(RCURLY);
-#line 71 "MDParser.g"
+#line 95 "MDParser.g"
 		tmp9_AST->setType(ENDBLOCK);
-#line 206 "MDParser.cpp"
+#line 234 "MDParser.cpp"
 		moleculeblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -240,9 +268,9 @@ void MDParser::zconstraintblock() {
 		tmp12_AST = astFactory->create(LT(1));
 		astFactory->addASTChild(currentAST, tmp12_AST);
 		match(RCURLY);
-#line 68 "MDParser.g"
+#line 80 "MDParser.g"
 		tmp12_AST->setType(ENDBLOCK);
-#line 246 "MDParser.cpp"
+#line 274 "MDParser.cpp"
 		zconstraintblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -252,6 +280,166 @@ void MDParser::zconstraintblock() {
 	returnAST = zconstraintblock_AST;
 }
 
+void MDParser::restraintblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST restraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp13_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp13_AST);
+		match(RESTRAINT);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop15;
+			}
+			
+		}
+		_loop15:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp15_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp15_AST);
+		match(RCURLY);
+#line 83 "MDParser.g"
+		tmp15_AST->setType(ENDBLOCK);
+#line 314 "MDParser.cpp"
+		restraintblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = restraintblock_AST;
+}
+
+void MDParser::flucqblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST flucqblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp16_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp16_AST);
+		match(FLUCQ);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop18;
+			}
+			
+		}
+		_loop18:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp18_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp18_AST);
+		match(RCURLY);
+#line 86 "MDParser.g"
+		tmp18_AST->setType(ENDBLOCK);
+#line 354 "MDParser.cpp"
+		flucqblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = flucqblock_AST;
+}
+
+void MDParser::rnemdblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST rnemdblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp19_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp19_AST);
+		match(RNEMD);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop21;
+			}
+			
+		}
+		_loop21:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp21_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp21_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp21_AST);
+		match(RCURLY);
+#line 89 "MDParser.g"
+		tmp21_AST->setType(ENDBLOCK);
+#line 394 "MDParser.cpp"
+		rnemdblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = rnemdblock_AST;
+}
+
+void MDParser::minimizerblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST minimizerblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp22_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp22_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp22_AST);
+		match(MINIMIZER);
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == ID)) {
+				assignment();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop24;
+			}
+			
+		}
+		_loop24:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp24_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp24_AST);
+		match(RCURLY);
+#line 92 "MDParser.g"
+		tmp24_AST->setType(ENDBLOCK);
+#line 434 "MDParser.cpp"
+		minimizerblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_2);
+	}
+	returnAST = minimizerblock_AST;
+}
+
 void MDParser::constant() {
 	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
@@ -275,20 +463,27 @@ void MDParser::constant() {
 			constant_AST = currentAST.root;
 			break;
 		}
+		case LPAREN:
+		{
+			vectorConst();
+			astFactory->addASTChild( currentAST, returnAST );
+			constant_AST = currentAST.root;
+			break;
+		}
 		case ID:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp13_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp13_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp13_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp25_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp25_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp25_AST);
 			match(ID);
 			constant_AST = currentAST.root;
 			break;
 		}
 		case StringLiteral:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp14_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp14_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp14_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp26_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp26_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp26_AST);
 			match(StringLiteral);
 			constant_AST = currentAST.root;
 			break;
@@ -315,18 +510,18 @@ void MDParser::intConst() {
 		switch ( LA(1)) {
 		case NUM_INT:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp15_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp15_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp15_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp27_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp27_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp27_AST);
 			match(NUM_INT);
 			intConst_AST = currentAST.root;
 			break;
 		}
 		case NUM_LONG:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp16_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp16_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp16_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp28_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp28_AST);
 			match(NUM_LONG);
 			intConst_AST = currentAST.root;
 			break;
@@ -353,18 +548,18 @@ void MDParser::floatConst() {
 		switch ( LA(1)) {
 		case NUM_FLOAT:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp17_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp17_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp17_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp29_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp29_AST);
 			match(NUM_FLOAT);
 			floatConst_AST = currentAST.root;
 			break;
 		}
 		case NUM_DOUBLE:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp18_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp18_AST = astFactory->create(LT(1));
-			astFactory->addASTChild(currentAST, tmp18_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp30_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp30_AST = astFactory->create(LT(1));
+			astFactory->addASTChild(currentAST, tmp30_AST);
 			match(NUM_DOUBLE);
 			floatConst_AST = currentAST.root;
 			break;
@@ -380,6 +575,43 @@ void MDParser::floatConst() {
 		recover(ex,_tokenSet_7);
 	}
 	returnAST = floatConst_AST;
+}
+
+void MDParser::vectorConst() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST vectorConst_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp31_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp31_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp31_AST);
+		match(LPAREN);
+		doubleNumber();
+		astFactory->addASTChild( currentAST, returnAST );
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp32_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp32_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp32_AST);
+		match(COMMA);
+		doubleNumber();
+		astFactory->addASTChild( currentAST, returnAST );
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp33_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp33_AST);
+		match(COMMA);
+		doubleNumber();
+		astFactory->addASTChild( currentAST, returnAST );
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp34_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp34_AST);
+		match(RPAREN);
+		vectorConst_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_5);
+	}
+	returnAST = vectorConst_AST;
 }
 
 void MDParser::moleculestatement() {
@@ -452,6 +684,13 @@ void MDParser::moleculestatement() {
 			moleculestatement_AST = currentAST.root;
 			break;
 		}
+		case CONSTRAINT:
+		{
+			constraintblock();
+			astFactory->addASTChild( currentAST, returnAST );
+			moleculestatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -471,9 +710,9 @@ void MDParser::atomblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST atomblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp19_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp19_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp19_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp35_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp35_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp35_AST);
 		match(ATOM);
 		match(LBRACKET);
 		intConst();
@@ -487,19 +726,19 @@ void MDParser::atomblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop19;
+				goto _loop31;
 			}
 			
 		}
-		_loop19:;
+		_loop31:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp23_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp23_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp23_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp39_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp39_AST);
 		match(RCURLY);
-#line 85 "MDParser.g"
-		tmp23_AST->setType(ENDBLOCK);
-#line 503 "MDParser.cpp"
+#line 110 "MDParser.g"
+		tmp39_AST->setType(ENDBLOCK);
+#line 742 "MDParser.cpp"
 		atomblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -515,9 +754,9 @@ void MDParser::bondblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST bondblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp24_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp24_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp24_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp40_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp40_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp40_AST);
 		match(BOND);
 		{
 		switch ( LA(1)) {
@@ -546,19 +785,19 @@ void MDParser::bondblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop24;
+				goto _loop36;
 			}
 			
 		}
-		_loop24:;
+		_loop36:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp28_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp28_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp28_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp44_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp44_AST);
 		match(RCURLY);
-#line 94 "MDParser.g"
-		tmp28_AST->setType(ENDBLOCK);
-#line 562 "MDParser.cpp"
+#line 119 "MDParser.g"
+		tmp44_AST->setType(ENDBLOCK);
+#line 801 "MDParser.cpp"
 		bondblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -574,9 +813,9 @@ void MDParser::bendblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST bendblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp29_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp29_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp29_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp45_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp45_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp45_AST);
 		match(BEND);
 		{
 		switch ( LA(1)) {
@@ -605,19 +844,19 @@ void MDParser::bendblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop29;
+				goto _loop41;
 			}
 			
 		}
-		_loop29:;
+		_loop41:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp33_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp33_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp33_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp49_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp49_AST);
 		match(RCURLY);
-#line 101 "MDParser.g"
-		tmp33_AST->setType(ENDBLOCK);
-#line 621 "MDParser.cpp"
+#line 126 "MDParser.g"
+		tmp49_AST->setType(ENDBLOCK);
+#line 860 "MDParser.cpp"
 		bendblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -633,9 +872,9 @@ void MDParser::torsionblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST torsionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp34_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp34_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp34_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp50_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp50_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp50_AST);
 		match(TORSION);
 		{
 		switch ( LA(1)) {
@@ -664,19 +903,19 @@ void MDParser::torsionblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop34;
+				goto _loop46;
 			}
 			
 		}
-		_loop34:;
+		_loop46:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp38_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp38_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp38_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp54_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp54_AST);
 		match(RCURLY);
-#line 108 "MDParser.g"
-		tmp38_AST->setType(ENDBLOCK);
-#line 680 "MDParser.cpp"
+#line 133 "MDParser.g"
+		tmp54_AST->setType(ENDBLOCK);
+#line 919 "MDParser.cpp"
 		torsionblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -692,9 +931,9 @@ void MDParser::inversionblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST inversionblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp39_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp39_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp39_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp55_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp55_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp55_AST);
 		match(INVERSION);
 		{
 		switch ( LA(1)) {
@@ -718,24 +957,24 @@ void MDParser::inversionblock() {
 		match(LCURLY);
 		{ // ( ... )*
 		for (;;) {
-			if ((LA(1) == CENTER || LA(1) == ID)) {
+			if ((_tokenSet_10.member(LA(1)))) {
 				inversionstatement();
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop39;
+				goto _loop51;
 			}
 			
 		}
-		_loop39:;
+		_loop51:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp43_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp43_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp43_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp59_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp59_AST);
 		match(RCURLY);
-#line 115 "MDParser.g"
-		tmp43_AST->setType(ENDBLOCK);
-#line 739 "MDParser.cpp"
+#line 140 "MDParser.g"
+		tmp59_AST->setType(ENDBLOCK);
+#line 978 "MDParser.cpp"
 		inversionblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -751,9 +990,9 @@ void MDParser::rigidbodyblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST rigidbodyblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp44_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp44_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp44_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp60_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp60_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp60_AST);
 		match(RIGIDBODY);
 		match(LBRACKET);
 		intConst();
@@ -767,19 +1006,19 @@ void MDParser::rigidbodyblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop43;
+				goto _loop55;
 			}
 			
 		}
-		_loop43:;
+		_loop55:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp48_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp48_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp48_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp64_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp64_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp64_AST);
 		match(RCURLY);
-#line 122 "MDParser.g"
-		tmp48_AST->setType(ENDBLOCK);
-#line 783 "MDParser.cpp"
+#line 148 "MDParser.g"
+		tmp64_AST->setType(ENDBLOCK);
+#line 1022 "MDParser.cpp"
 		rigidbodyblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -795,9 +1034,9 @@ void MDParser::cutoffgroupblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST cutoffgroupblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp49_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp49_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp49_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp65_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp65_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp65_AST);
 		match(CUTOFFGROUP);
 		{
 		switch ( LA(1)) {
@@ -826,19 +1065,19 @@ void MDParser::cutoffgroupblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop48;
+				goto _loop60;
 			}
 			
 		}
-		_loop48:;
+		_loop60:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp53_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp53_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp53_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp69_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp69_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp69_AST);
 		match(RCURLY);
-#line 129 "MDParser.g"
-		tmp53_AST->setType(ENDBLOCK);
-#line 842 "MDParser.cpp"
+#line 155 "MDParser.g"
+		tmp69_AST->setType(ENDBLOCK);
+#line 1081 "MDParser.cpp"
 		cutoffgroupblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -854,9 +1093,9 @@ void MDParser::fragmentblock() {
 	ANTLR_USE_NAMESPACE(antlr)RefAST fragmentblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	
 	try {      // for error handling
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp54_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp54_AST = astFactory->create(LT(1));
-		astFactory->makeASTRoot(currentAST, tmp54_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp70_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp70_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp70_AST);
 		match(FRAGMENT);
 		match(LBRACKET);
 		intConst();
@@ -870,19 +1109,19 @@ void MDParser::fragmentblock() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop52;
+				goto _loop64;
 			}
 			
 		}
-		_loop52:;
+		_loop64:;
 		} // ( ... )*
-		ANTLR_USE_NAMESPACE(antlr)RefAST tmp58_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-		tmp58_AST = astFactory->create(LT(1));
-		astFactory->addASTChild(currentAST, tmp58_AST);
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp74_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp74_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp74_AST);
 		match(RCURLY);
-#line 136 "MDParser.g"
-		tmp58_AST->setType(ENDBLOCK);
-#line 886 "MDParser.cpp"
+#line 162 "MDParser.g"
+		tmp74_AST->setType(ENDBLOCK);
+#line 1125 "MDParser.cpp"
 		fragmentblock_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
@@ -892,6 +1131,65 @@ void MDParser::fragmentblock() {
 	returnAST = fragmentblock_AST;
 }
 
+void MDParser::constraintblock() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintblock_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp75_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp75_AST = astFactory->create(LT(1));
+		astFactory->makeASTRoot(currentAST, tmp75_AST);
+		match(CONSTRAINT);
+		{
+		switch ( LA(1)) {
+		case LBRACKET:
+		{
+			match(LBRACKET);
+			intConst();
+			match(RBRACKET);
+			break;
+		}
+		case LCURLY:
+		{
+			break;
+		}
+		default:
+		{
+			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
+		}
+		}
+		}
+		match(LCURLY);
+		{ // ( ... )*
+		for (;;) {
+			if ((LA(1) == MEMBERS || LA(1) == ID)) {
+				constraintstatement();
+				astFactory->addASTChild( currentAST, returnAST );
+			}
+			else {
+				goto _loop69;
+			}
+			
+		}
+		_loop69:;
+		} // ( ... )*
+		ANTLR_USE_NAMESPACE(antlr)RefAST tmp79_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+		tmp79_AST = astFactory->create(LT(1));
+		astFactory->addASTChild(currentAST, tmp79_AST);
+		match(RCURLY);
+#line 168 "MDParser.g"
+		tmp79_AST->setType(ENDBLOCK);
+#line 1184 "MDParser.cpp"
+		constraintblock_AST = currentAST.root;
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_8);
+	}
+	returnAST = constraintblock_AST;
+}
+
 void MDParser::atomstatement() {
 	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
@@ -908,9 +1206,9 @@ void MDParser::atomstatement() {
 		}
 		case POSITION:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp59_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp59_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp59_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp80_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp80_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp80_AST);
 			match(POSITION);
 			match(LPAREN);
 			doubleNumberTuple();
@@ -922,9 +1220,9 @@ void MDParser::atomstatement() {
 		}
 		case ORIENTATION:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp63_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp63_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp63_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp84_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp84_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp84_AST);
 			match(ORIENTATION);
 			match(LPAREN);
 			doubleNumberTuple();
@@ -942,7 +1240,7 @@ void MDParser::atomstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_10);
+		recover(ex,_tokenSet_11);
 	}
 	returnAST = atomstatement_AST;
 }
@@ -963,17 +1261,17 @@ void MDParser::doubleNumberTuple() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop56;
+				goto _loop73;
 			}
 			
 		}
-		_loop56:;
+		_loop73:;
 		} // ( ... )*
 		doubleNumberTuple_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_11);
+		recover(ex,_tokenSet_12);
 	}
 	returnAST = doubleNumberTuple_AST;
 }
@@ -994,9 +1292,9 @@ void MDParser::bondstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp68_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp68_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp68_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp89_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp89_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1014,7 +1312,7 @@ void MDParser::bondstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_13);
 	}
 	returnAST = bondstatement_AST;
 }
@@ -1035,17 +1333,17 @@ void MDParser::inttuple() {
 				astFactory->addASTChild( currentAST, returnAST );
 			}
 			else {
-				goto _loop59;
+				goto _loop76;
 			}
 			
 		}
-		_loop59:;
+		_loop76:;
 		} // ( ... )*
 		inttuple_AST = currentAST.root;
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_11);
+		recover(ex,_tokenSet_12);
 	}
 	returnAST = inttuple_AST;
 }
@@ -1066,9 +1364,9 @@ void MDParser::bendstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp73_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp73_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp73_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp94_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp94_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp94_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1086,7 +1384,7 @@ void MDParser::bendstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_13);
 	}
 	returnAST = bendstatement_AST;
 }
@@ -1107,9 +1405,9 @@ void MDParser::torsionstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp77_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp77_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp77_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp98_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp98_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp98_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1127,7 +1425,7 @@ void MDParser::torsionstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_13);
 	}
 	returnAST = torsionstatement_AST;
 }
@@ -1148,9 +1446,9 @@ void MDParser::inversionstatement() {
 		}
 		case CENTER:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp81_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp81_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp81_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp102_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp102_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp102_AST);
 			match(CENTER);
 			match(LPAREN);
 			intConst();
@@ -1160,6 +1458,20 @@ void MDParser::inversionstatement() {
 			inversionstatement_AST = currentAST.root;
 			break;
 		}
+		case SATELLITES:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp106_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp106_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp106_AST);
+			match(SATELLITES);
+			match(LPAREN);
+			inttuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			inversionstatement_AST = currentAST.root;
+			break;
+		}
 		default:
 		{
 			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
@@ -1168,7 +1480,7 @@ void MDParser::inversionstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_13);
+		recover(ex,_tokenSet_14);
 	}
 	returnAST = inversionstatement_AST;
 }
@@ -1189,9 +1501,9 @@ void MDParser::rigidbodystatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp85_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp85_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp85_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp110_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp110_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp110_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1209,7 +1521,7 @@ void MDParser::rigidbodystatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_13);
 	}
 	returnAST = rigidbodystatement_AST;
 }
@@ -1230,9 +1542,9 @@ void MDParser::cutoffgroupstatement() {
 		}
 		case MEMBERS:
 		{
-			ANTLR_USE_NAMESPACE(antlr)RefAST tmp89_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
-			tmp89_AST = astFactory->create(LT(1));
-			astFactory->makeASTRoot(currentAST, tmp89_AST);
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp114_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp114_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp114_AST);
 			match(MEMBERS);
 			match(LPAREN);
 			inttuple();
@@ -1250,7 +1562,7 @@ void MDParser::cutoffgroupstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_12);
+		recover(ex,_tokenSet_13);
 	}
 	returnAST = cutoffgroupstatement_AST;
 }
@@ -1267,11 +1579,52 @@ void MDParser::fragmentstatement() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_14);
+		recover(ex,_tokenSet_15);
 	}
 	returnAST = fragmentstatement_AST;
 }
 
+void MDParser::constraintstatement() {
+	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
+	ANTLR_USE_NAMESPACE(antlr)RefAST constraintstatement_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+	
+	try {      // for error handling
+		switch ( LA(1)) {
+		case ID:
+		{
+			assignment();
+			astFactory->addASTChild( currentAST, returnAST );
+			constraintstatement_AST = currentAST.root;
+			break;
+		}
+		case MEMBERS:
+		{
+			ANTLR_USE_NAMESPACE(antlr)RefAST tmp118_AST = ANTLR_USE_NAMESPACE(antlr)nullAST;
+			tmp118_AST = astFactory->create(LT(1));
+			astFactory->makeASTRoot(currentAST, tmp118_AST);
+			match(MEMBERS);
+			match(LPAREN);
+			inttuple();
+			astFactory->addASTChild( currentAST, returnAST );
+			match(RPAREN);
+			match(SEMICOLON);
+			constraintstatement_AST = currentAST.root;
+			break;
+		}
+		default:
+		{
+			throw ANTLR_USE_NAMESPACE(antlr)NoViableAltException(LT(1), getFilename());
+		}
+		}
+	}
+	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
+		reportError(ex);
+		recover(ex,_tokenSet_13);
+	}
+	returnAST = constraintstatement_AST;
+}
+
 void MDParser::doubleNumber() {
 	returnAST = ANTLR_USE_NAMESPACE(antlr)nullAST;
 	ANTLR_USE_NAMESPACE(antlr)ASTPair currentAST;
@@ -1304,14 +1657,14 @@ void MDParser::doubleNumber() {
 	}
 	catch (ANTLR_USE_NAMESPACE(antlr)RecognitionException& ex) {
 		reportError(ex);
-		recover(ex,_tokenSet_15);
+		recover(ex,_tokenSet_16);
 	}
 	returnAST = doubleNumber_AST;
 }
 
 void MDParser::initializeASTFactory( ANTLR_USE_NAMESPACE(antlr)ASTFactory& factory )
 {
-	factory.setMaxNodeType(52);
+	factory.setMaxNodeType(59);
 }
 const char* MDParser::tokenNames[] = {
 	"<0>",
@@ -1321,6 +1674,7 @@ const char* MDParser::tokenNames[] = {
 	"\"component\"",
 	"\"molecule\"",
 	"\"zconstraint\"",
+	"\"restraint\"",
 	"\"atom\"",
 	"\"bond\"",
 	"\"bend\"",
@@ -1328,11 +1682,17 @@ const char* MDParser::tokenNames[] = {
 	"\"inversion\"",
 	"\"rigidBody\"",
 	"\"cutoffGroup\"",
+	"\"constraint\"",
+	"\"distance\"",
 	"\"fragment\"",
 	"\"members\"",
 	"\"center\"",
+	"\"satellites\"",
 	"\"position\"",
 	"\"orientation\"",
+	"\"flucQ\"",
+	"\"RNEMD\"",
+	"\"minimizer\"",
 	"ENDBLOCK",
 	"ID",
 	"ASSIGNEQUAL",
@@ -1370,57 +1730,63 @@ const char* MDParser::tokenNames[] = {
 	0
 };
 
-const unsigned long MDParser::_tokenSet_0_data_[] = { 1048688UL, 0UL, 0UL, 0UL };
-// "component" "molecule" "zconstraint" ID 
+const unsigned long MDParser::_tokenSet_0_data_[] = { 192938224UL, 0UL, 0UL, 0UL };
+// "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" "minimizer" 
+// ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_0(_tokenSet_0_data_,4);
 const unsigned long MDParser::_tokenSet_1_data_[] = { 2UL, 0UL, 0UL, 0UL };
 // EOF 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_1(_tokenSet_1_data_,4);
-const unsigned long MDParser::_tokenSet_2_data_[] = { 1048690UL, 0UL, 0UL, 0UL };
-// EOF "component" "molecule" "zconstraint" ID 
+const unsigned long MDParser::_tokenSet_2_data_[] = { 192938226UL, 0UL, 0UL, 0UL };
+// EOF "component" "molecule" "zconstraint" "restraint" "flucQ" "RNEMD" 
+// "minimizer" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_2(_tokenSet_2_data_,4);
-const unsigned long MDParser::_tokenSet_3_data_[] = { 35127282UL, 0UL, 0UL, 0UL };
-// EOF "component" "molecule" "zconstraint" "atom" "bond" "bend" "torsion" 
-// "inversion" "rigidBody" "cutoffGroup" "fragment" "members" "center" 
-// "position" "orientation" ID RCURLY 
+const unsigned long MDParser::_tokenSet_3_data_[] = { 201261042UL, 1UL, 0UL, 0UL };
+// EOF "component" "molecule" "zconstraint" "restraint" "atom" "bond" "bend" 
+// "torsion" "inversion" "rigidBody" "cutoffGroup" "constraint" "fragment" 
+// "members" "center" "satellites" "position" "orientation" "flucQ" "RNEMD" 
+// "minimizer" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_3(_tokenSet_3_data_,4);
-const unsigned long MDParser::_tokenSet_4_data_[] = { 1081216UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_4_data_[] = { 134414080UL, 0UL, 0UL, 0UL };
 // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" 
-// "fragment" ID 
+// "constraint" "fragment" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_4(_tokenSet_4_data_,4);
-const unsigned long MDParser::_tokenSet_5_data_[] = { 4194304UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_5_data_[] = { 536870912UL, 0UL, 0UL, 0UL };
 // SEMICOLON 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_5(_tokenSet_5_data_,4);
-const unsigned long MDParser::_tokenSet_6_data_[] = { 1749024768UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_6_data_[] = { 536870912UL, 52UL, 0UL, 0UL };
 // SEMICOLON RBRACKET RPAREN COMMA 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_6(_tokenSet_6_data_,4);
-const unsigned long MDParser::_tokenSet_7_data_[] = { 1614807040UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_7_data_[] = { 536870912UL, 48UL, 0UL, 0UL };
 // SEMICOLON RPAREN COMMA 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_7(_tokenSet_7_data_,4);
-const unsigned long MDParser::_tokenSet_8_data_[] = { 34635648UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_8_data_[] = { 134414080UL, 1UL, 0UL, 0UL };
 // "atom" "bond" "bend" "torsion" "inversion" "rigidBody" "cutoffGroup" 
-// "fragment" ID RCURLY 
+// "constraint" "fragment" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_8(_tokenSet_8_data_,4);
-const unsigned long MDParser::_tokenSet_9_data_[] = { 1441792UL, 0UL, 0UL, 0UL };
+const unsigned long MDParser::_tokenSet_9_data_[] = { 140509184UL, 0UL, 0UL, 0UL };
 // "position" "orientation" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_9(_tokenSet_9_data_,4);
-const unsigned long MDParser::_tokenSet_10_data_[] = { 34996224UL, 0UL, 0UL, 0UL };
-// "position" "orientation" ID RCURLY 
+const unsigned long MDParser::_tokenSet_10_data_[] = { 135790592UL, 0UL, 0UL, 0UL };
+// "center" "satellites" ID 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_10(_tokenSet_10_data_,4);
-const unsigned long MDParser::_tokenSet_11_data_[] = { 536870912UL, 0UL, 0UL, 0UL };
-// RPAREN 
+const unsigned long MDParser::_tokenSet_11_data_[] = { 140509184UL, 1UL, 0UL, 0UL };
+// "position" "orientation" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_11(_tokenSet_11_data_,4);
-const unsigned long MDParser::_tokenSet_12_data_[] = { 34635776UL, 0UL, 0UL, 0UL };
-// "members" ID RCURLY 
+const unsigned long MDParser::_tokenSet_12_data_[] = { 0UL, 16UL, 0UL, 0UL };
+// RPAREN 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_12(_tokenSet_12_data_,4);
-const unsigned long MDParser::_tokenSet_13_data_[] = { 34668544UL, 0UL, 0UL, 0UL };
-// "center" ID RCURLY 
+const unsigned long MDParser::_tokenSet_13_data_[] = { 134479872UL, 1UL, 0UL, 0UL };
+// "members" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_13(_tokenSet_13_data_,4);
-const unsigned long MDParser::_tokenSet_14_data_[] = { 34603008UL, 0UL, 0UL, 0UL };
-// ID RCURLY 
+const unsigned long MDParser::_tokenSet_14_data_[] = { 135790592UL, 1UL, 0UL, 0UL };
+// "center" "satellites" ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_14(_tokenSet_14_data_,4);
-const unsigned long MDParser::_tokenSet_15_data_[] = { 1610612736UL, 0UL, 0UL, 0UL };
-// RPAREN COMMA 
+const unsigned long MDParser::_tokenSet_15_data_[] = { 134217728UL, 1UL, 0UL, 0UL };
+// ID RCURLY 
 const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_15(_tokenSet_15_data_,4);
+const unsigned long MDParser::_tokenSet_16_data_[] = { 0UL, 48UL, 0UL, 0UL };
+// RPAREN COMMA 
+const ANTLR_USE_NAMESPACE(antlr)BitSet MDParser::_tokenSet_16(_tokenSet_16_data_,4);