Hello,
I've been trying to run a simulation using anisotropic pressure coupling (I
want to allow the box to adjust to the right size for a zero-pressure
simulation). I am using the following settings in the .mdp file:
Pcoupl = Berendsen
pcoupltype = anisotropic
Hi Mark,
Thanks for your reply.
I want anisotropic coupling because I want to have box shape deformation
during simulation. Like what has been done in above mentioned article.
I have read the manual already, but I am still in doubt.
I am pretty sure it should be anisotropic to allow these
Hi,
If you want isotropic coupling, don't choose anisotropic. Otherwise, please
make sure you read the documentation of the respective .mdp options.
Mark
On Mon, Sep 12, 2016 at 5:54 PM Mohsen Ramezanpour <
ramezanpour.moh...@gmail.com> wrote:
> Hi Everyone,
>
> Please let me know your opinion
Hi Everyone,
Please let me know your opinion on this question. Thanks in advance
Mohsen
On Wed, Sep 7, 2016 at 5:35 PM, Mohsen Ramezanpour <
ramezanpour.moh...@gmail.com> wrote:
> Dear gromacs users,
>
> If we are interested in deformation in simulation box shape (*both angles
> and lengths*)
Dear gromacs users,
If we are interested in deformation in simulation box shape (*both angles
and lengths*) during simulation for a lipid system, like what has been done
in this article (fig 1, fig 2, and fig 3):
"Phase behavior of a phospholipid/fatty acid/water mixture studied in
atomic
