[gmx-users] RDF from NPT simulation?

[Justin Lemkul]

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)?
Yes.

-Justin

-- 
==================================================

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
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

==================================================