[AMBER] NPT at high pressure

From: Francesco Pietra <chiendarret.gmail.com>
Date: Wed, 22 Aug 2012 15:33:30 +0200

I am using parm7 within NAMD. Is anything new with parm7 about
carrying out equilibration of a protein in a water box? I mean, water
model, flags? While range of temperatures have been explored, it seems
that ff have been devised for 1 bar. Nonetheless, these are
physiological conditions that would kill a deep water organism.

francesco pietra

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Received on Wed Aug 22 2012 - 07:00:04 PDT
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