Re: amber-developers: FF03 Charge problems in lib files?

From: David A. Case <case.scripps.edu>
Date: Mon, 17 Mar 2008 13:26:42 -0700

On Mon, Mar 17, 2008, Ray Luo wrote:

> Clarification: these charges were derived using the strategy, not the
> charging scheme, with which the ff94 nt/ct charges were derived ...
> if you did this before you know what I meant ... Of course the
> derivation was based on the same ESP from b3lyp/cc-pvtz as ff03.

I think it would be great to get these into Amber10, if you and Yong agree.

...dave
Received on Fri Apr 18 2008 - 21:11:49 PDT
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