Re: [AMBER] after equil surface of octahedral water-box have small well shaped arrangement of water

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Sat, 8 May 2010 08:16:42 -0700

> I tried 100ps equilibration at strong pressure coupling ( at taup = 0.1)

Always good to send the mdin, e.g. what if you didn't set the
flag for constant pressure?

Bill

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Received on Sat May 08 2010 - 08:30:03 PDT