AMBER Archive (2009)
Subject: Re: [AMBER] Right force fields
From: Patrick Schopf (schopf.patrick_at_googlemail.com)
Date: Fri Apr 17 2009 - 07:48:14 CDT
I can't remember having seen a publication that actually shows
that ff03 and gaff are 'compatible' in terms of charges.
As long as this has not been published I would not use ff03.
However, this is just an opinion, and not the final experts one.
Vikas Sharma wrote:
> Dear All,
> I use xleap.
> The force fields which I use are gaff & ff03..
> I am working on MM PBSA.
> Am i Using the right combination of force fields?
> I just wanted to know that while running antechamber which charges(RESP or BCC) should i use with which force fields?
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