[AMBER] Perl Vs Python in MMPBSA calculations in Amber 10

From: Mahmoud Soliman <mahmoudelkot.gmail.com>
Date: Wed, 23 Mar 2011 15:52:04 +0200

   Hi all,
   I am a new user to Amber and I am planning to do some MMPBSA binding energy
   for some enzyme-ligand complex. I went through the tutorial before I do that
   and I notice that the program uses Python scripts but on the cluster (Amber
   10 installed) that I am going to run the calculation on I see that it is a
   Perl script pbsa.pl. I wonder is there any technical difference between
   pbsa.py and pbsa.pl I should be aware about before running the calculations?
   can I install the new version of MMPBSA on the cluster and still compatible
   with the Amber 10 version???
   Any help would be appreciated....
   Best wishes



   Mahmoud E. Soliman

   Computational Chemistry & Modeling (PhD)

   Department of Chemistry

   University of Bath


   BA2 7AY

   United Kingdom




   1. http://people.bath.ac.uk/mess20/
   2. http://www.bath.ac.uk/person/812559
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Received on Wed Mar 23 2011 - 07:00:03 PDT
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