Re: [gmx-users] average pressure too high

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.laks...@research.iiit.ac.in> wrote: > Dear users, > I did nvt equil and after that npt equilbriation and i am > u

[gmx-users] average pressure too high

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. -- gmx-users mailing listg