AMBER Archive (2009)

Subject: Re: [AMBER] Amber FF and Glycam

From: Hannes Loeffler (hannes.loeffler_at_stfc.ac.uk)
Date: Fri May 01 2009 - 03:33:34 CDT

On Thu, 2009-04-30 at 14:36 -0400, Carlos Simmerling wrote:
> either one could be used in principle, but from the protein perspective I
> think we have found that 99SB provides a better model. also I think the
> charge model for 99SB is more compatible with that of glycam, while ff03
> uses a different charge derivation model. I don't think anyone has done a
> careful study to determine if this causes any problems.

Just wondering. If you say that 99SB is a better model than ff03 but
probably no careful study has been carried out yet what is your
statement based on? I suppose it comes from your personal experience
but how general would you think that would be?

Hannes.

_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber