Re: AMBER: long minimization in sander

From: Bill Ross <>
Date: Mon, 25 Oct 2004 13:30:32 -0700 (PDT)

> temp0 = 300.0,

You are going from 0K to 300K too quickly for a big system. I
suggest you warm gradually - see the FAQ on equilibration.

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Received on Mon Oct 25 2004 - 21:53:00 PDT
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