AMBER Archive (2003)

Subject: AMBER: surften value in mm_gbsa/mm_pbsa calculations

From: Sergio E. Wong (swon9_at_itsa.ucsf.edu)
Date: Tue Sep 02 2003 - 14:34:22 CDT

Dear sirs;

    I'm running amber 7 on a linux machine and trying to do some implicit
solvent (mm_pbsa/mm_gbsa) calculations. I went through the mm_pbsa.pl
file and found that SURFTEN has value
of 1.0 in the input for sander. This is vastly different from the
0.005 default value that is shown in the amber 7 user's manual. I'm
not sure if this is related to interfacing with delphi or not, but I'd
like to understand the reason for this discrepancy. Any ideas?

Thanks in advance;

Sergio

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