AMBER: is it a bug in mmpbsa

From: Shan, Jufang <Jufang.Shan.stjude.org>
Date: Tue, 7 Sep 2004 09:29:27 -0500

When I set epsilon=2 for MM calculation, GAS(ELE) was divided by 4.0
instead of 2.0 with epsilon = 2 compared to GAS(ELE) with epsilon=1. I
am using AMBER8.

 

Thanks,

Jufang

 


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Received on Fri Sep 10 2004 - 13:25:59 PDT
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