AMBER Archive (2000)

Subject: omit non-bonded energy in Amber 6

From: Pornthep Sompornpisut (ps2t_at_virginia.edu)
Date: Thu Dec 14 2000 - 15:12:55 CST

Dear Colleagues,

   I have a technical question regarding to Amber 6. Is there any ways to
turn off either the electrostatic energy calculations or the vdW energy
calculations or both in sander module? My intention is that the calculated
energy will be contributed by the bonding interactions and distance
restrained penalty.

  Any comments are appreciate.

Thep

=======================================================================
Pornthep Sompornpisut, Ph.D
Postdoctoral Fellow
Department of Physiology
University of Virginia
Tel: 804-924-5473
Fax: 804-982-1616
Email:ps2t_at_virginia.edu
=======================================================================