[AMBER] How to use nonlin option of APBS in MMPBSA.py?

From: Wei Huang <whuang.cct.lsu.edu>
Date: Tue, 19 Jul 2011 12:03:38 -0500

Dear Amber users,

It is not clear to me how I can set the parameter in the input file for MMPBSA.py to calculate the pb part using nonlinear PB equation via APBS (set nonlin=1 in _MMPBSA_pb.mdin file). Could you let me know how I can achieve that? If it is needed to modified the script, could you point out which part of the script should I change? Thanks a lot!

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Received on Tue Jul 19 2011 - 10:30:02 PDT
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