I would like to add three dihedral restraints. Each
point of the dihedral angle is defined by a group of
atoms, rather than one atom. So for dihedral A-B-C-D,
A would be a group of atoms, B would be another group
of atoms, and so on...
Thanks
Joe
--- "David A. Case" <case.scripps.edu> wrote:
> On Tue, Feb 01, 2005, Joseph Fernandez wrote:
>
> > I would like to apply more than one dihedral
> restraint
> > with groups of atoms defining each point of the
> > dihedrals. Is this possible?
>
> My immediate response is that it is possible...each
> restraint is independent
> of all of the rest, and you can include as many &rst
> namelist blocks as you
> want.
>
> But I'm also thinking that maybe I don't understand
> what you really want to
> do. To get a better answer, you probably need to
> provide a more specific
> example of what you want to do.
>
> ...dac
>
>
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Received on Wed Feb 02 2005 - 18:53:00 PST
