[gmx-users] mdrun rerun to large frame numbers
Sebastian
sebastian.buchenberg at physik.uni-freiburg.de
Thu Jul 7 11:59:09 CEST 2016
Hey,
I try to perform an rerun of very long trajectories using mdrun.
The problem is, that the rerun crashes after it reaches a certain frame
number with the warning:
there may be something wrong with the energy file XXX.edr
Found: step=-1983077269, nre=49, nblock=0, time=4.62378e+06.
Trying to skip frame expect a crash though.
I tried it for three different runs and I get always the same warning.
The step number is something strange.
Best,
Basti
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