[gmx-users] new forcefield not appear in slave node pdb2gmx list
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.
FF.dat has not been used since before version 4.5, when the force field
organization was overhauled.
> 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
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Justin A. Lemkul, Ph.D.
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