Hello,
In MMPBSA.py, is Molsurf or LCPO used to calculate the SASA? With GB, there is a flag to choose this, but this is absent in PB. The manual suggests that Molsurf is correct for PB calculations, so I was wondering if that was the default.
Kind regards
Pietro
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Received on Tue Jan 20 2015 - 11:00:06 PST
