Re: equilibrate glycerol molecules

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Aug 23 2012 - 04:04:34 CDT

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On Thu, Aug 23, 2012 at 10:45 AM, Namd Namd <namd_10_at_yahoo.com> wrote:
> Dear All,
>
> I want to run md simulations in order to equilibrate a box of 1271 glycerol
> molecules. The box size is 47 X 47 X 70 and the target experimental density
> value I should reach is 1.261 g/cm3. Could you please suggest a conf file
> that I can change with my values and use for my glycerol simulations ?

how should this be different than a conf file for any
other regular MD equilibration run?

axel.

>
> Thanks for the help.

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
International Centre for Theoretical Physics, Trieste. Italy.

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