[gmx-users] RDF from NPT simulation?

Justin Lemkul jalemkul at vt.edu
Thu Nov 2 12:11:17 CET 2017

On 11/2/17 6:39 AM, Sudip Das wrote:
> Dear All,
> Is it possible to calculate RDF from GROMACS module 'rdf' from a NPT
> simulation trajectory (where box size changes from frame to frame)?



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


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