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

[SANTINI sebastien]

On Tuesday 11 May 2004 11:56, David van der Spoel wrote:
> 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 for your help,
I have already tried to restart the simulation from 1.790 ns.
the simulation have crashed around 200 ps after with the same problem.

If I find somthing I will tell you.

thanks a lot.

Seb.
-- 
____________________________________________________________________

Sebastien SANTINI, PhD Student
sebastien.santini at igs.cnrs-mrs.fr
Tel:   +33 4 91 16 44 55                Fax:   +33 4 91 16 45 49
Laboratory of Structural & Genomic Information (IGS), UPR2589 - CNRS
Institute of Structural Biology & Microbiology (IBSM)
31 Chemin Joseph Aiguier, 13402 Marseille Cedex 20, FRANCE
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