AMBER Archive (2004)

Subject: Re: AMBER: const-P MD at high T

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Oct 18 2004 - 12:47:58 CDT

> when I try to run sander with high system temperatures (more then 500K)sander
> gives out an error saying that: volume of ucell too big, too many subcells

Have you seen the amber web material on equilibration?

> I am also aware that the density continuously falls
> during the constant pressurerun.

If the density is approaching 1.0, then this is what you want.

Bill

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