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.
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Received on Wed May 20 2009 - 14:00:12 PDT
