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
--
*************************************************
Mahmoud E. Soliman
Computational Chemistry & Modeling (PhD)
Department of Chemistry
University of Bath
Bath
BA2 7AY
United Kingdom
[1]
http://people.bath.ac.uk/mess20/
[2]
http://www.bath.ac.uk/person/812559
References
1.
http://people.bath.ac.uk/mess20/
2.
http://www.bath.ac.uk/person/812559
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 23 2011 - 07:00:03 PDT
