AMBER: anal vs sander

From: Piotr Cieplak <>
Date: Fri, 27 Jan 2006 12:58:39 -0800 (PST)

I have a question concerning gb calculations.
I minimized a protein using infinite cutoff , and igb=2 (gb/sa + saltcon=0.2)
and then the last structure I reanalized using ANAL program..
For this given particular structure I got all energy components the same
besides 1-4 elstat and elstat , which in the case of GB/SA were 4 times larger values.
I used in both cases the same cutoff. And I know that anal is decomissioned...
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Received on Sat Jan 28 2006 - 06:10:06 PST
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