AMBER: Re: reporting EPtot and EKtot separately for two molecules

From: Gabbar S. Daaku <gabbarsinghdaaku.gmail.com>
Date: Mon, 12 Feb 2007 11:16:45 -0500

Sorry I meant 1 protein and 1 carbohydrate molecule ...

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While running MD on a complex consisting of 1 protein and 1
carbohydrate molecule (which I believe would be same as 2 protein
chains), I was wondering if it possible to print out the potential and
kinetic energy separately for each molecule (chain)?

GSD
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Received on Wed Feb 14 2007 - 06:07:25 PST
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