[gmx-users] PBC problem

David van der Spoel spoel at xray.bmc.uu.se
Mon Jul 12 16:01:31 CEST 2004


On Mon, 2004-07-12 at 15:30, Xavier Periole wrote:
> 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
> >  

you need a refernce structure or tpr
> >
> 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
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone:  +46 18 471 4205  fax: +46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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