Dear Elton,
Where am I supposed to use trjconv -center ? when I want to get the mdrun?
Sincerely,
Shima
________________________________
From: Elton Carvalho <elto...@if.usp.br>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Sent: Friday, June 15, 2012 7:43 PM
Subject: Re: [gmx-users] protein near the edges of simulation box
On Fri, Jun 15, 2012 at 1:23 PM, Tsjerk Wassenaar <tsje...@gmail.com> wrote:
> You can specify the protein to have no net center of mass
> motion, by setting it as comm_grps in the .mdp file.
>
If the user is just concerned about visualization, trjconv -center
solves his problem.
--
Elton Carvalho
Tel.: +55 11 3091-6985/6922
Dept Física dos Materiais e Mecânica
Instituto de Física
Universidade de São Paulo
P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil
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