[gmx-users] how to generate executable file "g_energy_mpi" ?
jalemkul at vt.edu
Thu Oct 23 14:28:29 CEST 2014
On 10/23/14 8:26 AM, Vinson Leung wrote:
> Thanks. It seem to much more clear for me:).
> I have compiled again with -DGMX_MPI=OFF. Now I have only two executable
> file ("gmx" and "template") in the bin dir. If I want to generate .xvg file
> and I already have .edr file. What is the comand line exactly ?
gmx energy -f *.edr
Note that you can get the help information (syntax, required input, etc) for any
gmx help [program]
Everything is also in the printed manual and simple tasks are well covered in
most tutorials available online.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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