[gmx-users] how to generate executable file "g_energy_mpi" ?

[Vinson Leung]

Thank you very much:) It help me a lot !

Best
Vincent

On Thu, Oct 23, 2014 at 8:28 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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 program with
>
> gmx help [program]
>
> Everything is also in the printed manual and simple tasks are well covered
> in most tutorials available online.
>
>
> -Justin
>
> --
> ==================================================
>
> 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
> http://mackerell.umaryland.edu/~jalemkul
>
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