Hi,
By default there is no explicit hydrogen bonding term in Amber, so all
non-bonded interactions are governed by van der Waals and
electrostatics.
-Dan
On Thu, Jun 21, 2012 at 6:56 PM, Schubert Mario
<schubert.mol.biol.ethz.ch> wrote:
> Dear amber users,
>
> I am wondering if Amber takes attractive forces of unconventional C-H...O hydrogen bonds into account or does it use van der Waal repulsive forces to keep "non-bonded" atoms apart?
>
> any answer would be appreciated
> Thanks,
> Mario
>
> ***************************************************
> Dr. Mario Schubert
> ETH-Zurich
> Institute of Molecular Biology and Biophysics
> Schafmattstr. 20, ETH Hönggerberg, HPP L13
> CH-8093 Zürich, Switzerland
> phone:+41-44-633-0706
> schubert.mol.biol.ethz.ch
> http://www.nmr.ethz.ch/~masu/
> ***************************************************
>
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--
-------------------------
Daniel R. Roe, PhD
Lab Specialist
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Fri Jun 22 2012 - 06:30:04 PDT
