Re: [AMBER] continuing an mmpbsa run

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 4 Jul 2011 09:42:27 -0600

Typically you'd have to say what version of which program you were using (
mm_pbsa.pl, MMPBSA.py, which Amber/AmberTools version?). However, the
answer to any of these questions is invariably "no".

I would suggest taking a look at how many frames it *did* get through, how
many are left, and be generous in setting the new wall time.

HTH,
Jason

On Mon, Jul 4, 2011 at 7:29 AM, Chris Chris <alpharecept.yahoo.com> wrote:

> I allotted too little time for my mmpbsa and the job was killed. Can I just
> continue the run from where it left off? If so, how? Thanks for any
> suggestions.
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Jul 04 2011 - 09:00:05 PDT
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