--- trunk/OOPSE/libmdtools/Restraints.cpp	2004/05/24 21:23:36	1194
+++ trunk/OOPSE/libmdtools/Restraints.cpp	2004/06/02 14:56:18	1221
@@ -23,45 +23,69 @@ Restraints::Restraints(int nMolInfo, double lambdaVal,
 
   const char *jolt = " \t\n;,";
 
-  strcpy(springName, "HarmSpringConsts.txt");
+#ifdef IS_MPI
+  if(worldRank == 0 ){
+#endif // is_mpi
 
-  ifstream springs(springName);
-
-  if (!springs) { 
-    sprintf(painCave.errMsg,
-	    "Restraints Warning: Unable to open HarmSpringConsts.txt for reading.\n"
-	    "\tDefault spring constants will be loaded. If you want to specify\n"
-	    "\tspring constants, include a three line HarmSpringConsts.txt file\n"
-	    "\tin the current directory.\n");
-    painCave.isFatal = 0;
-    simError();   
-
-    // load default spring constants
-    kDist  = 6;  // spring constant in units of kcal/(mol*ang^2)
-    kTheta = 7.5;   // in units of kcal/mol
-    kOmega = 13.5;   // in units of kcal/mol
-    return;
+    strcpy(springName, "HarmSpringConsts.txt");
+    
+    ifstream springs(springName);
+    
+    if (!springs) { 
+      sprintf(painCave.errMsg,
+	      "In Restraints: Unable to open HarmSpringConsts.txt for reading.\n"
+	      "\tDefault spring constants will be loaded. If you want to specify\n"
+	      "\tspring constants, include a three line HarmSpringConsts.txt file\n"
+	      "\tin the current directory.\n");
+      painCave.severity = OOPSE_WARNING;
+      painCave.isFatal = 0;
+      simError();   
+      
+      // load default spring constants
+      kDist  = 6;  // spring constant in units of kcal/(mol*ang^2)
+      kTheta = 7.5;   // in units of kcal/mol
+      kOmega = 13.5;   // in units of kcal/mol
+    } else  {
+      
+      springs.getline(inLine,999,'\n');
+      springs.getline(inLine,999,'\n');
+      token = strtok(inLine,jolt);
+      token = strtok(NULL,jolt);
+      strcpy(inValue,token);
+      kDist = (atof(inValue));
+      springs.getline(inLine,999,'\n');
+      token = strtok(inLine,jolt);
+      token = strtok(NULL,jolt);
+      strcpy(inValue,token);
+      kTheta = (atof(inValue));
+      springs.getline(inLine,999,'\n');
+      token = strtok(inLine,jolt);
+      token = strtok(NULL,jolt);
+      strcpy(inValue,token);
+      kOmega = (atof(inValue));
+      springs.close();
+    }
+#ifdef IS_MPI
   }
+  
+  MPI_Bcast(&kDist, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
+  MPI_Bcast(&kTheta, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
+  MPI_Bcast(&kOmega, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD); 
+  
+  sprintf( checkPointMsg,
+           "Sucessfully opened and read spring file.\n");
+  MPIcheckPoint();
 
-  springs.getline(inLine,999,'\n');
-  springs.getline(inLine,999,'\n');
-  token = strtok(inLine,jolt);
-  token = strtok(NULL,jolt);
-  strcpy(inValue,token);
-  kDist = (atof(inValue));
-  springs.getline(inLine,999,'\n');
-  token = strtok(inLine,jolt);
-  token = strtok(NULL,jolt);
-  strcpy(inValue,token);
-  kTheta = (atof(inValue));
-  springs.getline(inLine,999,'\n');
-  token = strtok(inLine,jolt);
-  token = strtok(NULL,jolt);
-  strcpy(inValue,token);
-  kOmega = (atof(inValue));
-  springs.close();
-
-  cout << "The Spring Constants are:\n\tkDist  = " << kDist << "\n\tkTheta = " << kTheta << "\n\tkOmega = " << kOmega << "\n";
+#endif // is_mpi
+  
+  sprintf(painCave.errMsg,
+	  "The spring constants for thermodynamic integration are:\n"
+	  "\tkDist = %lf\n"
+	  "\tkTheta = %lf\n"
+	  "\tkOmega = %lf\n", kDist, kTheta, kOmega);
+  painCave.severity = OOPSE_INFO;
+  painCave.isFatal = 0;
+  simError();   
 }
 
 Restraints::~Restraints(){