[gmx-users] nano dimensions
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
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.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
More information about the gromacs.org_gmx-users