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

[SANTINI sebastien]

On Tuesday 11 May 2004 11:01, David van der Spoel wrote:
> On Tue, 2004-05-11 at 11:03, SANTINI sebastien wrote:
> > Dear GMX users,
> >
> > i'm doing a simulation of a dimer in a water box.
> > (I had no problem with other dimer and trimer)
> > my 10 ns simulation is stopped after 1.8 ns and no error message is found
> > in the log file.
> > the energy, temperature, pressure ... are correct.
> > there is enought place on the hard disk, and no hardware problem can be
> > detected.
> >
> > 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).

thanks.

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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