[gmx-users] supercell

Dallas Warren dallas.warren at monash.edu
Tue Oct 22 23:27:37 CEST 2019


http://manual.gromacs.org/documentation/current/onlinehelp/gmx-genconf.html
?

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Wed, 23 Oct 2019 at 03:09, Alex <alexanderwien2k at gmail.com> wrote:

> Dear all,
> I have a gromacs trajectory for which I need to generate supercell of its
> last 5ns. The supercell needs to be two times larger than the initial cell
> from each side. I wonder if there is a tools available in gromacs for doing
> that?
>
> Regards,
> Alex
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