[gmx-users] No pressure coupling in X direction

Quyen Vu Van vuqv.phys at gmail.com
Wed Jan 16 23:00:32 CET 2019


Dear Sam,
Thanks for your help.
Best


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On Wed, Jan 16, 2019 at 10:04 PM Sam David <samdav800 at gmail.com> wrote:

> Hi
> I have no idea about pull code but if you want pressure in a specific
> direction you can use anisotropic coupling where it has xx yy zz xy xz yz
> in your case xx=0, yy=p zz=p   xy=xz=yz=0
> check it online
>
> Best
>
>
>
> On Wed, Jan 16, 2019 at 1:50 PM Quyen Vu Van <vuqv.phys at gmail.com> wrote:
>
> > Dear all,
> > In pull code, I want to use *pull-coord1-geometry=direction-periodic* and
> > Gromacs requires no pressure coupling in the pulling direction, which is
> > x-direction in my case.
> > How can I just use pressure coupling for y-z direction?
> > Best regards,
> > Quyen
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