[AMBER] Thermodynamic Integration introduce charge

From: Johannes Loeffler <johannes.r.loeffler.gmail.com>
Date: Wed, 4 May 2016 07:36:39 +0200

Dear all,

Is it possible to perform thermodynamic integration if the point
mutation includes introducing a charge?

Thanks in advance!

Joe

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Received on Tue May 03 2016 - 23:00:03 PDT