[gmx-users] question about how to install g_tune_pme

Hi, Everyone, We want to install g_tune_pme tool to our Gromacs-4.0.7 on our cluster. We don't know which Makefile in the template directory we should use, should we run make in the tune directory, or even configure, or should we compile this together with gromacs? Should we use mpi library? which

Re: [gmx-users] question about Gromacs4.0.7: parallel run

Hi, Justin, Thank you so much. Now it works well. Yi On Mon, May 24, 2010 at 7:59 PM, Justin A. Lemkul wrote: > > > Yi Peng wrote: > >> Hi, everyone, >> >> Recently our school upgraded the clusters for us. And they install the >> Gromacs-4.0.7 for us. Bef

[gmx-users] question about Gromacs4.0.7: parallel run

Hi, everyone, Recently our school upgraded the clusters for us. And they install the Gromacs-4.0.7 for us. Before I always used Gromacs-4.0.3, the scripts used for parallel running works well. My script is as follows: #PBS -l nodes=4:ppn=2 #PBS -N pr-impd1-wt #PBS -j oe module load gromacs modu

[gmx-users] Can not determine precision of trn file

king forward to hearing from you. Sincerely, Yi Peng -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use t

Re: [gmx-users] Can not open file; traj.trr

n that. > > amit > > On Fri, Nov 13, 2009 at 9:11 AM, Yi Peng wrote: > >> Hi, everyone, >> >> I was using Gromacs-4.0.3 to run my MD calculations parallell on our High >> performance clusters for a large system which was crashed because I run out >> th

[gmx-users] Can not open file; traj.trr

Hi, everyone, I was using Gromacs-4.0.3 to run my MD calculations parallell on our High performance clusters for a large system which was crashed because I run out the time limits. So I tried to resume my calculations by the script as follows: #PBS -N gromacs #PBS -l walltime=250:00:00 #PBS -l no