He, Yang wrote:
I just tried it several times and still can not get the trajectory file. I am
using the 3.3.1 not new version but I can get the xtc or trr file when running
the other cases .
It seems unlikely you were able to run a million-step integration
several times to completion. Choose a small number of steps, allow mdrun
to run to completion, and *then* see if your problem is real.
Mark
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