AMBER: multiple dihedral restraints using group

From: mkseo <>
Date: Mon, 31 Mar 2008 11:11:30 -0600

  Hello Amber Users,

I'd like to add multiple distance and dihedral restraints with defining
by a group of atoms in umbrella sampling.
I found the below message from old archive (2005) and it seems that
dihedral restraints with a group of atoms were not available in Amber
at that time.
How about it in AMBER 9?
Is this kind of restraint still not provide in Amber 9?

> 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...
> This sort of restraint is not provided in Amber. Only distance
> can refer to "groups" of atoms, rather than individual atoms.
> ...dac



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Received on Fri Apr 18 2008 - 21:15:36 PDT
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