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

SANTINI sebastien sebastien.santini at igs.cnrs-mrs.fr
Tue May 11 11:03:35 CEST 2004

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 

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 ?

thanks in advance.

best regards.



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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