[gmx-users] PBC problem

[Andrea Carotti]

Dear Xavier,
    trying your command, i have the message:
invalid argument -o for option -fit...
There is something i'm missing?
TNX again
Andrea
----- Original Message ----- 
From: "Xavier Periole" <x.periole at chem.rug.nl>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Thursday, July 08, 2004 5:17 PM
Subject: Re: [gmx-users] PBC problem

> >
> A simple solution is to use
> trjconv -f traj.xtc -fit -o traj-fitted.xtc
> 
> if the protein is centered in your initial conf you get what you want.
> XAvier
> 
> -- 
> ----------------------------------------------
> 
>    Xavier Periole - Ph.D.
> 
>    Dept. of Biophysical Chemistry / MD Group 
>    Univ. of Groningen
>    Nijenborgh 4
>    9747 AG Groningen
>    The Netherlands
> 
>    Tel: +31-503634329
>    Fax: +31-503634800
>    email: x.periole at chem.rug.nl
>    web-page: http://md.chem.rug.nl/~periole
>    
> ----------------------------------------------
> 
> 
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