From: Jernej Zidar (jernej.zidar_at_gmail.com)
Date: Wed Aug 22 2012 - 03:05:52 CDT
Doing simulations at such high pressure doesn't make any
(bio)physical sense as these conditions are really far from the
On Wed, Aug 22, 2012 at 4:02 PM, Francesco Pietra <chiendarret_at_gmail.com> wrote:
> Hi all:
> I was scanning - with little success - NAMD mailing list for
> equilibration of water-solvated proteins at relatively high pressure,
> say 100 bar and 285K.
> Any experience, in particular to the best flags for such conditions?
> What about the pressure fluctuation due to the scarce compressibility
> of the medium under such conditions?
> francesco pietra
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