Hello, all
I am tring to calculate the GB energy with mm_pbsa for a system with
acetone as solvent. As i know, the SURFTEN = 0.0072 is used for
system with water as solvent. How can i find out the correct value
for SURFTEN for system containing acetone solvent? Also, for the
calculation for SASA, is the value of SASA correct if i use LCPO or
molsurf method for the calculation of acetone system?
Thank you in advance,
Shuting Wei
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Received on Sun Aug 06 2006 - 06:07:11 PDT
