Re: AMBER: Harmonic restraint between two atoms

From: Adrian Roitberg <roitberg.qtp.ufl.edu>
Date: Fri, 26 Sep 2008 14:42:55 -0400

look under nmr restraints, nmropt=1 in the manual


greddy1.umd.edu wrote:
> Hello All,
> Is it possible to apply a harmonic restraint between two atoms in the simulation.
> The manual says using ntr I can apply harmonic restraints to atoms in space. But I
> want to apply an internal harmonic restraint between two atoms.
> Thanks
> Greddy
>
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-- 
                            Dr. Adrian E. Roitberg
                              Associate Professor
                             Quantum Theory Project
                            Department of Chemistry
                  Senior Editor. Journal of Physical Chemistry
                           American Chemical Society
University of Florida                         PHONE 352 392-6972
P.O. Box 118435                               FAX   352 392-8722
Gainesville, FL 32611-8435                    Email adrian.qtp.ufl.edu
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Received on Sun Sep 28 2008 - 05:08:21 PDT
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