On Fri, Jan 27, 2006, Piotr Cieplak wrote:
>
> 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...
Is it possible that you set a dielectric of 4 in the ANAL input?
(This would be the last number on line 5 of the anal input)
...dac
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Received on Sat Jan 28 2006 - 06:10:06 PST
