--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/07/31 19:59:34 660 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/08/01 16:18:13 661 @@ -630,11 +630,11 @@ void SimSetup::gatherInfo( void ){ else if( !strcasecmp( ensemble, "NVEZCONS")) ensembleCase = NVEZCONS_ENS; else if( !strcasecmp( ensemble, "NVTZCONS")) ensembleCase = NVTZCONS_ENS; - else if( !strcasecmp( ensemble, "NPTiZCONS") || !strcasecmp( ensemble, "NPT")) + else if( !strcasecmp( ensemble, "NPTiZCONS") || !strcasecmp( ensemble, "NPTZCONS")) ensembleCase = NPTiZCONS_ENS; - else if( !strcasecmp( ensemble, "NPTfCONS")) ensembleCase = NPTfZCONS_ENS; + else if( !strcasecmp( ensemble, "NPTfZCONS")) ensembleCase = NPTfZCONS_ENS; else if( !strcasecmp( ensemble, "NPTimZCONS")) ensembleCase = NPTimZCONS_ENS; - else if( !strcasecmp( ensemble, "NPTfmCONS")) ensembleCase = NPTfmZCONS_ENS; + else if( !strcasecmp( ensemble, "NPTfmZCONS")) ensembleCase = NPTfmZCONS_ENS; else{ sprintf( painCave.errMsg, @@ -1327,9 +1327,7 @@ void SimSetup::makeIntegrator( void ){ ZConstraint >* myNPTfZCons = NULL; ZConstraint >* myNPTimZCons = NULL; ZConstraint >* myNPTfmZCons = NULL; - - cerr << "setting integrator" <