Re: [AMBER] free energy of solvation of small molecules

From: David A Case <>
Date: Mon, 7 Dec 2015 10:06:33 -0500

On Mon, Dec 07, 2015, Fabian gmail wrote:
> I think I have a working protocol now, but I don’t understand the
> variation in pressure, the density is OK, is near 1 on equilibration
> and production which are NPT, but the pressure varies wildly, is that
> normal?

Probably: see


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Received on Mon Dec 07 2015 - 07:30:02 PST
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