Hi GROMACS FRIENDS, I have dell T3500 precision, 64 bits, 6C workstation with fedora operating system. I want to install gromacs in parallel mode with mpi... I am planning to performed Replica Exchange Molecular Dynamics ( REMD ). As per REMD instruction http://www.gromacs.org/Documentation/How-tos/REMD?highlight=remd, GROMACS should not compile in threading. I install open mpi with command line yum -y install openmpi. I found that fedora add/remove software package has gromacs 4.5.5 version that can be easily installed by command yum .. It enlisted with total 15 different packages : eg.. two packages..
1. GROMACS Open MPI binaries and libraries 2 . GROMACS OPEN MPI shared libraries and a more.. Please can you tell me which packages I have to install so that I can run GROMACS 4.5.5 in parallel to do REMD. Thank you in advance.... Have a nice day.. With Best Wishes and regards. Rama David -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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