AMBER Archive (2008)

Subject: AMBER: Question: GAFF

From: Chih-Ying Lin (
Date: Fri Sep 05 2008 - 16:33:14 CDT


In the TUTORIAL B4 - Using Antechamber to Create Leap Input Files for Simulating Sustiva
using the General Amber Force Field

One paragraph is
"Ideally you should really test these parameters (by comparing to ab initio calculations for example) to ensure they are reasonable. "

Could someone direct me the details of how to test these parameters?
And, how to re-parametrize some force field parameters?

Thanks a lot

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