[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.
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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