[gmx-users] protein near the edges of simulation box

Elton Carvalho eltonfc at if.usp.br
Fri Jun 15 18:18:24 CEST 2012

On Fri, Jun 15, 2012 at 5:46 PM, Shima Arasteh
<shima_arasteh2001 at yahoo.com> wrote:
> Dear Elton,
> Where am I supposed to use trjconv -center ? when I want to get the mdrun?

As Justin mentioned, you should use if after mdrun, on your .xtc
(or.trr) files. Check the manual.

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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