[gmx-users] average pressure too high

Roland Schulz roland at utk.edu
Sun Dec 26 12:34:52 CET 2010


Hi,

what is the standard deviation and drift? Are you sure this is a significant
difference to 1?

Roland

On Sun, Dec 26, 2010 at 12:28 AM, sreelakshmi ramesh <
sree.lakshmi at research.iiit.ac.in> wrote:

> Dear users,
>                  I did nvt equil and after that npt equilbriation and i am
> using parinello rahman as the barostat but the prob is even after 200 ps of
> equil the avg pressure is 1.5 bar .can anybody hepl me out with the
> issue.Any suggestions please.
>
> sree.
>
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