[AMBER] Distance based mask for qmmask

From: Fabrício Bracht <fabracht1.gmail.com>
Date: Tue, 30 Jul 2013 16:27:49 -0300

Can a distance based mask be used to specify atoms in the qm region of
qm/mm simulations? If not, is there a practical way to work around the
diffusion of water molecules out of the qm region.
Thank you
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Received on Tue Jul 30 2013 - 12:30:02 PDT
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