From: Alessio Coi <>
Date: Wed, 02 Mar 2005 11:00:52 +0100

Dear Users,

I'm using a MM-GBSA analysis technique to estimate free energies of
binding for comparison with experiment. I wonder whether it's suggested
to use explicit ions to couteract the -10 charge of the protein or if
it's better to perform minimization and MD with a value for the total
charge of the protein different from 0...

Thank you

Alessio Coi

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Received on Wed Mar 02 2005 - 10:53:00 PST
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