On Fri, Oct 21, 2005, Yong Xu wrote:
> there are always different output for those two program using the same
> probe-radius.
I don't use MSMS myself. It would be interesting if someone could confirm
or deny this (molsurf vs. MSMS). In the past when I made comparisons, the
two gave the same results most of the time, and the differences were where
MSMS failed. But that was some time ago...
> what kind of surface are used for SA*0.00542 + 0.92 calculation by Molsurf
> in MMPBSA/AMBER?
You should use the SAS (solvent accessible surface) area here.
....dac
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Received on Sat Oct 22 2005 - 17:53:00 PDT
