Re: Simulating air with NAMD

From: Mark Abraham (
Date: Sun May 06 2007 - 21:20:14 CDT

JC Gumbart wrote:
> Well, by gas phase, what you mean, and I think may not be clear to some
> people, is that it is essentially simulating the (presumed) protein in a
> vacuum. This is done sometimes, I'm sure, and may be reasonable. But
> he didn't say WHAT he was simulating other than air, so I only addressed
> that particular part of the question. :)

Right, then. I read the question as referring to a simulation of just
air :-)


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