Unfortunately my simulation (using pmemd) died whilst writing out my rst
file due to lack of disk space. Can someone please advise me on how best
to restart it? I have tried to calculate the number of steps that were
remaining and altered the nstlim param in the .in file accordingly but I
obviously get this error message in my .out file:
ERROR: Could not read coords from trunc_pstat3_mdproduction.rst
I assume I need to generate a new .rst file from my last good frame but
being new to Amber I don't know how or if there is anything I need to be
aware of.
Thanks
Sam
--
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Dr Samantha Kaye
The School of Pharmacy
University of London
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Received on Sun Oct 21 2007 - 06:07:28 PDT
