AMBER Archive (2004)

Subject: AMBER: The question about SAS calculation in MM_PBSA

From: Jack Lei (
Date: Mon Sep 20 2004 - 12:19:29 CDT

Hi, folks:

Now we know MSMS is good in surface calculation. In MM_PBSA,
AMBER used MOLSURF to calculate SAS surface area. I am just
curious that anybody tried this using MSMS instead of MOLSURF.
What is the difference of results? If good, a suggestion is that AMBER
 could add MS option choice(like MS =0, 1, 2).


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