From: Jernej Zidar (jernej.zidar_at_gmail.com)
Date: Wed Aug 22 2012 - 03:05:52 CDT
Dear Sir,
Doing simulations at such high pressure doesn't make any
(bio)physical sense as these conditions are really far from the
physiological conditions.
Best,
Jernej
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?
>
> thanks
>
> francesco pietra
>
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