[gmx-users] nano dimensions

Justin Lemkul jalemkul at vt.edu
Fri Dec 21 14:41:29 CET 2018

On Fri, Dec 21, 2018 at 6:35 AM Vidya R <vidyadevi2811 at gmail.com> wrote:

> Hi gromacs users,
> How to specify nano dimensions of an organic compound in the input files of
> gromacs?
The dimensions of a compound are not used for anything in GROMACS. If you
mean specifying a box size, the program is editconf. Consult any basic
tutorial for how to use it to set up a box.




Justin A. Lemkul, Ph.D.

Assistant Professor

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Virginia Tech Department of Biochemistry
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