AMBER Archive (2004)

Subject: AMBER: how to use mm_pbsa_statistics.pl independently

From: Jufang Shan (jufang_shan_at_hotmail.com)
Date: Mon Apr 12 2004 - 21:23:36 CDT

Hi,

I want to calculate the binding free energy between receptor and ligand. I calculated the entropy for the complex, receptor and ligand using normal mode separately since the same parameters don't work for all. My question is what value shall I give to "calc delta" (?0..1) and "calc decomp" (?0..2) to run mm_pbsa_statistics.pl? I am using Amber 7.

Thanks,
Jufang

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Jufang Shan
Graduate Student
Dept. of Structural Biology
St. Jude Children's Research Hospital
Interdisciplinary Program
The University of Tenessee Health Science Center
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