[AMBER] mmpbsa restart

From: Giulia <giulia.palermo.iit.it>
Date: Wed, 14 Nov 2012 13:31:18 +0100

Dear all,

I am running MMPBSA on a cluster that allows me to create submission job files that have a duration of only 6 hours.
Unfortunately, after 6 hours my calculations are not finished and I am unable to obtain the results from an MMPBSA calculation.
There is a way to save the intermediate files and to restart the calculation starting from these ??

Thank you very much
Giulia Palermo



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 14 2012 - 05:00:04 PST
Custom Search