Hi,
On Thu, Feb 6, 2020 at 4:02 AM Amit Kumar wrote:
> Dear gromacs users,
> After subscribing to the gromacs mailing list I am getting only daily
> digest, I am not getting a question-answer thread, so posting my question
> once I cannot reply in the thread.
>
>
You have probably selected
Dear gromacs users,
After subscribing to the gromacs mailing list I am getting only daily
digest, I am not getting a question-answer thread, so posting my question
once I cannot reply in the thread.
I have also asked previously this question and got a reply from David van
der Spoel too and after
Den 2019-08-26 kl. 20:53, skrev Najla Hosseini:
Dear David,
Hope you are doing well.
I am Gromacs user and I need to change the partial charge of molecules
in force field or itp file as a function of distance during the run in
Gromacs. Is it possible? How I should do that?
Please pose your
Hi all,
I had installed Gromacs 5.0.4 on a Centos6 system a few years ago, and
it was fine. We recently migrated our systems to Centos7, where Gromacs
2018 was installed, also without problems. A user requested the old
Gromacs 5.0.4 on the Centos7 system to complete a project.
I worked
Hi,
Yes, the deform .mdp option is intended to do these kinds of things, but I
don't think there is more documentation than you can see here
http://manual.gromacs.org/documentation/5.1.2/user-guide/mdp-options.html#non-equilibrium-md,
so look for a publication that reports using it.
Mark
On
Dear All
I have a quick question about GROMACS. Is there any chance to exert
different types of loading such as torsional or bending or linear tension
loading on simulation box in GROMACS ?
Best wishes
Ali khourshaei shargh (khourshaeisha...@mech.sharif.edu)
Department of Mechanical
Hi,
As genrestr -h warns, you need a position restraint files per moleculetype,
not for the whole set of such molecules.
Mark
On Tue, Feb 4, 2014 at 2:39 PM, Andrew Bostick andrew.bosti...@gmail.comwrote:
Hi all
My system contain dopc + cholesterol + water + drug molecules.
I want to do
