Hi Jason,
I have read about the igb=8 option.
My version of MMPBSA.py tells me that igb=8 is not available.
Will it run with AmberTools 1.5?
Another question:
What do you think about the usage of internal dielectrics 2 and 4 in
MMPB/GBSA calcuations?
I get results closest to experimental value when using 1.* *But I would also
like to know if there is a profound reason to use 1, I mean, is something in
the procedure parameterized to 1?
Greets,
Oliver
--
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 Wed Apr 27 2011 - 08:00:03 PDT
