[gmx-users] RDF from NPT simulation?

Justin Lemkul jalemkul at vt.edu
Thu Nov 2 17:13:30 CET 2017

On 11/2/17 7:28 AM, Sudip Das wrote:
> Dear Justin,
> Should I have to use any flag(s) with 'rdf' module to scale the coordinates
> for fixing the box size? I didn't find such flag in 'rdf' module.

There are no special flags. GROMACS commands deal with box vectors 



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


More information about the gromacs.org_gmx-users mailing list