On 5/03/2012 8:48 PM, Nidhi Katyal wrote:
Dear All,
I was running my simulation for 30ns but at the last step i got
following error: "Cannot close energy file;it might be corrupt, or
maybe you are out of quota."
It was found that there was some disk space problem but when the issue
was resolved i restarted my run from the last step using append option
in mdrun.
When finally the *.trr was created i used gmxcheck -f *.trr. But then
i got error saying that "Cannot determine precision of trn file".I
have checked my state.cpt
and *.log file, they have correct number of frames.But then why *.trr
is giving this error.
IIRC there's some magic numbers that get written to the start of each
frame that allow the reading software to determine the precision on the
fly. It seems your .trr file lacks these. Maybe your file system and/or
attempts at re-starts have not dealt well with the lack of available
disk space. If you were able to restart, then the .trr was fine up to
the restart point, but it is not clear from the above whether you did
achieve a restart...
Mark
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