AMBER Archive (2007)

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

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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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• Next message: Gabbar S. Daaku: "AMBER: reporting EPtot and EKtot separately for two molecules"
• Previous message: Chris Moth: "Re: AMBER: Fwd: help me out..."
• In reply to: Gabbar S. Daaku: "AMBER: reporting EPtot and EKtot separately for two molecules"
• Next in thread: David A. Case: "Re: AMBER: reporting EPtot and EKtot separately for two molecules"
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