[AMBER] igb=1 and gbsa=0

From: Francesco Oteri <francesco.oteri.gmail.com>
Date: Tue, 08 Mar 2011 00:38:43 +0100

Dear Amber users,
I have to simulate a DNA structure and I'm following the tutorial
present on AMBER website.
In the tutorial the igb moidel is 1 (igb=1) while gbsa flag is 0 and,
therefore, Solvent Accessible Surface term is not calculated.
I've two question:

1) Is it correct to neglect this terms?
2) There is a way to estimate the error using this settings?

I've already posted similar question, but I'm not sure my settings are
good, so I ask again.


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Received on Mon Mar 07 2011 - 16:00:05 PST
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