Re: interaction energy

From: Bill Ross <>
Date: Thu 21 Sep 2000 08:23:00 -0700 (PDT)

        I'm trying to calculate the interaction energy between a drug molecule
        and the receptor over a MD trajectory. Can anyone tel me how I would go
        about obtaining this interaction energy?
1. Convert the mdcrd to a series of restrt files with carnal.

2. Run anal on each one. But first test if the energies are
   consistent, given the bugs:

Bill Ross
Received on Thu Sep 21 2000 - 08:23:00 PDT
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