Thanks alot Rui for the hint ________________________________
From: gmx-users-boun...@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/> ) -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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