[AMBER] Usage of ambermask within MMPBSA.py

From: Oliver Kuhn <oak.amber.googlemail.com>
Date: Thu, 28 Apr 2011 15:04:33 +0200

Hi Jason,

as you suggested, I am using strip_mask=:200-204:206-8052 to strip my traj.
I also tried strip_mask='!:1-199,205' or strip_mask='!:1-199,!:205'. Both
versions work with the ambmask command.
I can imagine that MMPBSA.py processes the mask with its own mechanism and
doesn't implement all ambmask features, then this would be understandable.
Is that right? 

-- 
Oliver Kuhn, Department of Bioinformatics,
Center for Medical Biotechnology, University of Duisburg-Essen,
Universitätsstr. 1-5, 45141 Essen, Germany
phone +49 201 183-3121, oliver.kuhn.uni-due.de
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Received on Thu Apr 28 2011 - 06:30:03 PDT
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