[gmx-users] Gromacs installation
bioinf at talavis.eu
Mon Jul 30 11:01:41 CEST 2012
If you install package 1 on your list, the second one will be
installed as well (ie you need both of them).
On Mon, Jul 30, 2012 at 10:56 AM, rama david <ramadavidgroup at gmail.com> wrote:
> 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
> 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
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