Re: AMBER: const-P MD at high T

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Mon, 18 Oct 2004 10:47:58 -0700 (PDT)

> 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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Received on Mon Oct 18 2004 - 18:53:00 PDT
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