in the comments of mm_pbsa script, there is
#... surface area from MSMS output; gamma=0.00542kcal/(mol.A^2) and
b=0.92kcal/mol...
but at the end of the script for statistics, it says like
# uncomment below if you want to provide your parameters for non-polar term
# to solvation energy
# DEFAULTS: gammaG=0.0072, betaG=0.0, gammaP=0.00542, betaP=0.092,
^^^^^^^^^^^
TEMPERATURE=300
#
i would like to know if the value betaP=0.092 is really used as default or
it's just a typo which is supposed to be betaP=0.92. thanks very much...
frank
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Received on Tue Feb 29 2000 - 16:39:44 PST
