[gmx-users] scripting question

[Hassan Shallal]

Thanks alot Rui for the hint

________________________________

From: gmx-users-bounces at gromacs.org on behalf of J. Rui Rodrigues
Sent: Fri 7/16/2010 3:26 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] scripting question



google: for loop bash

On Fri, 16 Jul 2010 02:57:12 -0700, Hassan Shallal wrote
> Dear Gromacs users,
>
> This question is much more of a unix/linux scripting issue. Let's say I have
> 10 pdb files named mt_1.pdb, mt_2.pdb, .....mt_10.pdb. If I need to energy
> minimize the 10 pdb files using the same em.mdp and the same mt.top file, how
> can I create a script for minimizing the 10 files without me specifying each
> file for grommp and mdrun on an individual basis, for 10 files it could be
> fine, but for more files like 100 or 200, this is quite time consuming and
> liable for errors?
>
> Any help of hint is very appreciated
>
> Hassan


--
Webmail ESTG de Leiria (http://webmail.estg.ipleiria.pt <http://webmail.estg.ipleiria.pt/> )

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