Dear Jason,
> It could be that the job was simply killed.
> It could be a problem during cleanup of sander.
How to avoid this job killing or cleanup process?
> Did you ask for more steps than this?
Each of production phase is 5 ns (2500000 steps).
My main question in my last case in which
out file: NSTEP = 867500
info file: NSTEP = 2500000
is that can I be sure that MD simulation was ended?
The size of mdcrd file seems low. Lower than the size of a mdcrd file with
2500000 steps.
Best,
Atila
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Received on Fri Oct 23 2015 - 09:00:04 PDT
