Hi
In the TUTORIAL B4 - Using Antechamber to Create Leap Input Files for Simulating Sustiva
using the General Amber Force Field
http://amber.scripps.edu/tutorials/basic/tutorial4/create_prmtop.htm
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
Lin
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Received on Sun Sep 07 2008 - 06:07:55 PDT
