[email protected] wrote:
Thanks a lot, I'll check stderr and stdout, because I think that the log file
is correct (it looks like a normal dynamic that has been manually interrupted).
If you've manually interrupted the simulation, then you cannot expect
the buffered I/O to be correctly formed.
The system is not exploded cause it does not generate the gro file and step
files.
If there's no final coordinate file (.gro by default), then the
simulation did not complete correctly.
Mark
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