# | Line 837 | Line 837 | void SimSetup::makeMolecules( void ){ | |
---|---|---|
837 | ||
838 | default: | |
839 | sprintf( painCave.errMsg, | |
840 | < | "SimSetup Error: ghostVectorSource was neiter a " |
840 | > | "SimSetup Error: ghostVectorSource was neither a " |
841 | "double nor an int.\n" | |
842 | "-->Bend[%d] in %s\n", | |
843 | j, comp_stamps[stampID]->getID() ); | |
# | Line 936 | Line 936 | void SimSetup::makeMolecules( void ){ | |
936 | delete[] theBends; | |
937 | delete[] theTorsions; | |
938 | } | |
939 | + | |
940 | + | #ifdef IS_MPI |
941 | + | sprintf( checkPointMsg, "all molecules initialized succesfully" ); |
942 | + | MPIcheckPoint(); |
943 | + | #endif // is_mpi |
944 | ||
945 | // clean up the forcefield | |
946 | the_ff->calcRcut(); | |
947 | the_ff->cleanMe(); | |
948 | + | |
949 | } | |
950 | ||
951 | void SimSetup::initFromBass( void ){ |
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