Subject: omit non-bonded energy in Amber 6

From: Pornthep Sompornpisut <[email-masked]>
Date: Thu, 14 Dec 2000 12:31:53 -0500

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

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Pornthep  Sompornpisut, Ph.D
Postdoctoral Fellow
Department of Physiology
University of Virginia
Tel: 804-924-5473
Fax: 804-982-1616
Email:[email-masked]
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