Tutorial-l Mailing List
From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Mon Apr 23 2007 - 17:23:11 CDT
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Try running a constant pressure simulation until the cell dimensions
stabilize. Then you can continue with constant volume again.
On Apr 23, 2007, at 12:35 PM, Won-Young Ahn wrote:
> Dear NAMD users,
>
>
>
> How can I reduce the size of my simulation periodic box?
>
>
>
> When I run a dynamic simulation at a fixed volume and temperature
> (NVT ensemble), the cell pressure was too low.
>
> I would like to increase the cell pressure by decreasing the box size.
>
>
>
> Thanks,
>
>
>
> Won-Young
>
>
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