[AMBER] generalized Born question

From: Francesco Oteri <francesco.oteri.gmail.com>
Date: Tue, 01 Mar 2011 19:21:00 +0100

Dear AMBER users,
I've a question related to the usage of the GB method through pmemd.cuda.
I've to simulate a system composed by 20.000 atoms with GB model.
I want to use pmemd.cuda, but It doesn't permit to use gbsa>0.
How gbsa=0 impacts on the conformations sampled by my simulation?
It is better to use igb=1 or igb=2.


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Received on Tue Mar 01 2011 - 10:30:07 PST
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