[gmx-users] PBC problem

Andrea Carotti and.carotti at farmchim.uniba.it
Mon Jul 12 15:47:42 CEST 2004


I'm using gmx 3.2.1 and trr files for input and output (instead of xtc)
and the option Yes did not work (same error message).
:-(
Andrea
----- Original Message ----- 
From: "Xavier Periole" <x.periole at chem.rug.nl>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
Sent: Monday, July 12, 2004 3:30 PM
Subject: Re: [gmx-users] PBC problem


> Andrea Carotti wrote:
> 
> >Dear Xavier,
> >    trying your command, i have the message:
> >invalid argument -o for option -fit...
> >There is something i'm missing?
> >TNX again
> >  
> >
> I can't think about something wrong. I just tried again on a trajectory
> of mine and it went fine !!! Which version of Gromacs are you using ??
> Can try to put "yes" in argument but it is not supposed to need it !!
> 
> 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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