[gmx-users] Pressure through one direction

[Mark Abraham]

Hi,

Yes, anisotropic coupling is described there.

Mark

On Wed, Dec 6, 2017, 3:53 AM ali akgün <ali.akgunphys at gmail.com> wrote:

> I mean can i run npt only one direction?
>
> On Tue, Nov 28, 2017 at 10:53 PM, Wes Barnett <w.barnett at columbia.edu>
> wrote:
>
> > On Tue, Nov 28, 2017 at 12:25 PM, ali akgün <ali.akgunphys at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > Can i generate mdp file for pressure through one direction system.For
> > > example:
> > >
> > > Ref pressure:
> > >
> > > X direction:        1.0 bar
> > > Other direction:  0.0 bar
> > >
> >
> >
> > Yes, see the options here:
> >
> http://manual.gromacs.org/documentation/2016.4/user-guide/mdp-options.html
> >
> >
> > --
> > James "Wes" Barnett
> > Postdoctoral Research Scientist
> > Department of Chemical Engineering
> > Kumar Research Group <http://www.columbia.edu/cu/kumargroup/>
> > Columbia University
> > w.barnett at columbia.edu
> > http://wbarnett.us
> > --
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