Not sure if this was sent out successfully. ...
yong
-----Original Message-----
From: owner-amber-developers.scripps.edu
[mailto:owner-amber-developers.scripps.edu] On Behalf Of Yong Duan
Sent: Tuesday, March 18, 2008 6:11 AM
To: amber-developers.scripps.edu
Subject: RE: amber-developers: FF03 Charge problems in lib files?
Sounds great to me!
yong
-----Original Message-----
From: owner-amber-developers.scripps.edu
[mailto:owner-amber-developers.scripps.edu] On Behalf Of David A. Case
Sent: Monday, March 17, 2008 1:27 PM
To: amber-developers.scripps.edu
Subject: Re: amber-developers: FF03 Charge problems in lib files?
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 - 21:12:39 PDT
