Hi,
I was looking up the dihedral dump from rdparms and I see that in
addition to specific dihedrals, non-specific dihedrals are also
included. For example: H1-CT-CT-OS as well as X-CT-CT-X
I would have thought that if a specific dihedral is available, the
non-specific dihedrals should be ignored. Could someone tell me how
these dihedrals are selected/excluded in tleap?
I'm using Amber 8 with parm99.dat forcefield.
Thanks,
Narayanan
--
n.r.y.n.n
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Received on Wed Jul 11 2007 - 06:07:26 PDT
