Dr. Simmerling,
Thanks for the quick response.
> You should also read our article and subsequent
> ones about simulating trp-cage folding before
> you get too far with it. I think you are seeing force
> field artifacts. Parm98 is not a good choice (nor is
> parm94 or 99).
I did read the article and I was wondering if the only
changes you made to Parm99 forcefield were the 3 dihedrals?
With regards,
Pratul
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Received on Wed Aug 06 2003 - 17:53:01 PDT
