AMBER Archive (2000)

Subject: interaction energy

From: Christopher Higgs (chiggs_at_icr.ac.uk)
Date: Thu Sep 21 2000 - 05:42:00 CDT

Hi,

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?

Many Thanks

Chris Higgs 

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Dr Christopher Higgs                 The Institute of Cancer Research
tel(lab)  : 0207 352 8133 ext 5102   237 Fulham Road, London
 (direct) : 0207 970 6055            SW3 6JB, United Kingdom
fax       : 0207 352 8039
email: chiggs_at_icr.ac.uk
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