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
