[gmx-users] Fatal error: Frame contains more atoms than expected

David van der Spoel spoel at xray.bmc.uu.se
Tue May 11 11:56:10 CEST 2004


On Tue, 2004-05-11 at 11:52, SANTINI sebastien wrote:
> On Tuesday 11 May 2004 11:33, David van der Spoel wrote:
> > On Tue, 2004-05-11 at 11:12, SANTINI sebastien wrote:
> > > > > when I check the xtc file I obtain the following message:
> > > > >
> > > > > Reading frame     180 time 1800.000   Fatal error: Frame contains
> > > > > more atoms (806384582) than expected (604)
> > > > >
> > > > > is there anyone who can say to me where this problem come from ?
> > > >
> > > > 2Gb file on linux?
> > >
> > > no, my biggest trr file is around 120 Mb. (and the xtc is around 500 Kb).
> >
> > Then it seems that the xtc file is corrupt for some reason, NFS problems
> > maybe?
> >
> 
> Our administrator does not see any NFS problem and the xtc is quite corrupted.
> 
then I don't know. If you have saved the trajectory in the trr file as
well, you can try to restart the simulation from 1800 ps.

> thanks.
> Seb.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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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