한상화 wrote:
Hi,
In .rtp file of a GROMOS 96 force field (ffG43a1.rtp for example),
exclusions seem to be listed only for aromatic residues such as TYR,
HIS, and TRP.
Why is that so?
normally they are generated (chapter 4) but one can define extra
exclusions. interactions within rings usualy just work to deform the
rings which is undesired therefore they are turned off.
Sanghwa Han
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________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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