--- trunk/src/mdParser/MDParser.g	2005/12/16 02:57:00	814
+++ trunk/src/mdParser/MDParser.g	2013/07/16 17:16:45	1902
@@ -28,16 +28,23 @@ tokens
   COMPONENT   = "component";
   MOLECULE    = "molecule";
   ZCONSTRAINT = "zconstraint";
+  RESTRAINT   = "restraint";
   ATOM        = "atom";
   BOND        = "bond";
   BEND        = "bend";
   TORSION     = "torsion";
+  INVERSION   = "inversion";
   RIGIDBODY   = "rigidBody";
   CUTOFFGROUP = "cutoffGroup";
   FRAGMENT    = "fragment";
   MEMBERS     = "members";
+  CENTER      = "center";
+  SATELLITES  = "satellites";
   POSITION    = "position";
   ORIENTATION = "orientation";
+  FLUCQ       = "flucQ";
+  RNEMD       = "RNEMD";
+  MINIMIZER   = "minimizer";
   ENDBLOCK;
 }
 
@@ -46,16 +53,21 @@ statement : assignment
         ;
 
 statement : assignment
-          | componentblock
-          | moleculeblock
-          | zconstraintblock
-          ;
-            
+    | componentblock
+    | moleculeblock
+    | zconstraintblock
+    | restraintblock
+    | flucqblock
+    | rnemdblock
+    | minimizerblock
+    ;
+
 assignment  : ID ASSIGNEQUAL^ constant SEMICOLON!
             ;
             
 constant    : intConst
-						| floatConst
+			| floatConst
+            | vectorConst
             | ID
             | StringLiteral
             ;
@@ -65,6 +77,18 @@ zconstraintblock  : ZCONSTRAINT^ LCURLY! (assignment)*
     
 zconstraintblock  : ZCONSTRAINT^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);}
                   ;
+
+restraintblock  : RESTRAINT^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);}
+                  ;
+
+flucqblock  : FLUCQ^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);}
+    ;
+
+rnemdblock  : RNEMD^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);}
+    ;
+
+minimizerblock  : MINIMIZER^ LCURLY! (assignment)* RCURLY {#RCURLY->setType(ENDBLOCK);}
+    ;
   
 moleculeblock : MOLECULE^ LCURLY! (moleculestatement)*  RCURLY {#RCURLY->setType(ENDBLOCK);}
               ;
@@ -74,6 +98,7 @@ moleculestatement : assignment
                   | bondblock
                   | bendblock
                   | torsionblock
+                  | inversionblock
                   | rigidbodyblock
                   | cutoffgroupblock
                   | fragmentblock
@@ -109,6 +134,14 @@ torsionstatement  : assignment
               | MEMBERS^ LPAREN! inttuple RPAREN! SEMICOLON!
               ;
 
+inversionblock  : INVERSION^ (LBRACKET! intConst! RBRACKET!)?  LCURLY!(inversionstatement)* RCURLY {#RCURLY->setType(ENDBLOCK);}
+          ;
+
+inversionstatement  : assignment
+              | CENTER^ LPAREN! intConst RPAREN! SEMICOLON!
+              | SATELLITES^ LPAREN! inttuple RPAREN! SEMICOLON!
+              ;
+
 rigidbodyblock  : RIGIDBODY^  LBRACKET! intConst RBRACKET! LCURLY!(rigidbodystatement)* RCURLY {#RCURLY->setType(ENDBLOCK);}
                 ;
 
@@ -153,7 +186,11 @@ floatConst
           NUM_FLOAT | NUM_DOUBLE
         ;
 
-
+protected
+vectorConst
+    : 
+        LPAREN^ doubleNumber COMMA doubleNumber COMMA doubleNumber RPAREN
+    ;
 
 class MDLexer extends Lexer;
 
@@ -257,7 +294,7 @@ LineDirective
   }
     ("line")?  // this would be for if the directive started "#line"
     (Space)+
-    n:Decimal { setLine(oopse::lexi_cast<int>(n->getText()) - 1); } 
+    n:Decimal { setLine(OpenMD::lexi_cast<int>(n->getText()) - 1); } 
     (Space)+
     (sl:StringLiteral) {std::string filename = sl->getText().substr(1,sl->getText().length()-2); observer->notify(filename);} 
     ((Space)+ Decimal)* // To support cpp flags (GNU)
@@ -457,7 +494,7 @@ EXPONENT
 // a couple protected methods to assist in matching floating point numbers
 protected
 EXPONENT
-	:	('e'|'E') ('+'|'-')? ('0'..'9')+
+	:	('e'|'E'|'d'|'D') ('+'|'-')? ('0'..'9')+
 	;
 
 protected