Difference for src/NamdState.C from version 1.1088 to 1.1089

version 1.1088version 1.1089
Line 500
Line 500
         }         }
 //fepe //fepe
         if (simParameters->lesOn) {         if (simParameters->lesOn) {
     if (simParameters->alchFepOn || simParameters->alchThermIntOn) NAMD_bug("FEP/TI and LES are incompatible!");     if (simParameters->alchOn) NAMD_bug("FEP/TI and LES are incompatible!");
            molecule->build_fep_flags(configList->find("lesfile"),            molecule->build_fep_flags(configList->find("lesfile"),
                 configList->find("lescol"), pdb, NULL, "les");                 configList->find("lescol"), pdb, NULL, "les");
         }         }
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  /* END gf */  /* END gf */
  
 //Modifications for alchemical fep //Modifications for alchemical fep
         if (simParameters->alchFepOn || simParameters->alchThermIntOn) {         if (simParameters->alchOn) {
           iout << iINFO << "ALCH: "            iout << iINFO << "ALCH: " 
                << molecule->numFepInitial <<                << molecule->numFepInitial <<
                " ATOMS TO DISAPPEAR IN FINAL STATE\n";                " ATOMS TO DISAPPEAR IN FINAL STATE\n";


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