AMBER Archive (2004)

Subject: Re: AMBER: Problem with Water solute during MD

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Nov 10 2004 - 09:20:23 CST

> irest = 0, ntx = 1,
> ntt=1, temp0 = 300., tempi = 0.,

You can't cold-start to 300K. Read faq on equilibration.

Bill
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