Hi Folks, I can't seem to get the GROMACS benchmarks to work with 4.6.1. They work fine with 4.5.5. Can anyone offer any suggestion? It dies in grompp first with the following:
------------------------------------------------------- Program grompp_mpi, VERSION 4.6.1 Source code file: /lustre/tuccillo/lustre_backup/UT-NICS/gromacs-4.6.1/src/gmxlib/gmxcpp.c, line: 293 Fatal error: Topology include file "spc.itp" not found For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors -- View this message in context: http://gromacs.5086.x6.nabble.com/GROMACS-benchmarks-d-dppc-d-lzm-etc-with-V4-6-1-tp5010060.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
