[gmx-users] Gromacs installation
ramadavidgroup at gmail.com
Mon Jul 30 10:56:43 CEST 2012
Hi GROMACS FRIENDS,
I have dell T3500 precision, 64 bits, 6C workstation with fedora
I want to install gromacs in parallel mode with mpi...
I am planning to performed Replica Exchange Molecular Dynamics ( REMD ).
As per REMD instruction
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.
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