Dear David and vlad,
That works!
Thanks a lot.
Sudha
On Mon, Mar 3, 2008 at 1:24 PM, David A. Case <case.scripps.edu> wrote:
> On Mon, Mar 03, 2008, Sudha Mani Karra wrote:
>
> > Can anyone help me out in explaining how we can write the
> > pressure in the md.out file in a NVT simulation.
>
> Set ntb=2, ntp=1 and taup=999999.
>
> This will report the pressure, but not actually allow the volume to
> change.
>
> ..dac
>
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Received on Wed Mar 05 2008 - 06:07:23 PST
