interaction energy

From: Christopher Higgs <chiggs_at_icr.ac.uk>
Date: Thu 21 Sep 2000 11:42:00 +0100

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
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email: chiggs_at_icr.ac.uk
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Received on Thu Sep 21 2000 - 03:42:00 PDT