[AMBER] How to generate MM/PBSA statistics from recovered Job

From: mish <smncbr.gmail.com>
Date: Mon, 21 Feb 2011 16:38:24 +0100


I was doing Entropy calculation in nabmode. I used parallel version of the
python script to do so using 4CPU. Unfortunately my calculation got killed
due to lime limit and now it copied only -


If I look in the progress.log then i can see that calculation were killed
during last thread so I think It will have the data up to second last
thread. Is it possible by someway to generate the final results from this
data stored in these 12 files ?

AMBER mailing list
Received on Mon Feb 21 2011 - 08:00:02 PST
Custom Search