Re: [AMBER] Pressure in bar or atm?

From: case <case.biomaps.rutgers.edu>
Date: Fri, 8 Oct 2010 14:18:04 -0400

On Fri, Oct 08, 2010, Ben Roberts wrote:

> On 19/9/2010, at 5:52 p.m., case wrote:
>
> > AMOEBA in pmemd.amba should be compatible with other force fields, i.e. should
> > use bars like everything else.

I was responding to an earlier email, where (I thought) it was reported that
there was a difference between amoeba and "regular" amber force fields with
regard to pressure calculation. Check the archives to find out more.

....dac


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Received on Fri Oct 08 2010 - 11:30:05 PDT
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