[gmx-developers] How to put two molecules inside the simulation box with a control on their DISTANCE and ANGLE

Mark Abraham mark.j.abraham at gmail.com
Tue Feb 13 07:39:10 CET 2018


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On Tue, Feb 13, 2018 at 12:42 AM Armin Solemanifar <
armin.solemanifar at gmail.com> wrote:

> Dear Gromacs users,
> I'm trying to put two peptides inside the simulation box and have the
> ability to rotate them to face each other in a particular way before
> starting the simulation. I only know how to put them randomly in the
> simulation box.
> My second question is how to put them in a certain distance from each
> other in the beginning as well.
> Cheers,
> Armin
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