AMBER Archive (2004)

Subject: Re: AMBER: long minimization in sander

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Oct 25 2004 - 15:30:32 CDT

> 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.

Bill
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