[AMBER] Best atom types for N-Oxides compounds like TMAO

From: sa <sagmx.mail.gmail.com>
Date: Thu, 1 Nov 2012 13:39:44 +0100

Dear all,

I would like to use (in the first approximation) the Amber ff99 force field
to simulate TMAO in water In your opinion, what are the best atom types
available in this force field for the N and O atoms

Thank you for your help

SA
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Received on Thu Nov 01 2012 - 06:00:02 PDT