[gmx-users] new forcefield not appear in slave node pdb2gmx list

Justin Lemkul jalemkul at vt.edu
Sun Jul 7 03:19:24 CEST 2013



On 7/6/13 9:12 PM, FLOR MARTINI wrote:
> This could be helpful, I hope.
> http://www.gromacs.org/Documentation/File_Formats/FF.dat?highlight=change+ff+list
>

FF.dat has not been used since before version 4.5, when the force field 
organization was overhauled.

-Justin

>
> Dra.M.Florencia Martini
> Cátedra de Farmacotecnia II
> Facultad de Farmacia y Bioquímica
> Universidad de Buenos Aires
> Junín 956 6º (1113)
> TE: 54 011 4964-8273
>
>
> ________________________________
>   De: Hari Pandey <harichem12 at yahoo.com>
> Para: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
> Enviado: sábado, 6 de julio de 2013 13:10
> Asunto: [gmx-users] new forcefield not appear in slave node pdb2gmx list
>
>
> Hi all gromacs users,
> I have new forcefield and I have this folder in my working directory as well as in  /share/gromacs/top.  When I run pdb2gmx from head node this forcefield appears in list but when I run from slave nodes it do not appear in pdb2gmx list. could somebody tell me how do resolve this problem
>
> thanks in advance
> hari
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Associate

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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