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.
Please help. Regards, Sudip On Thu, Nov 2, 2017 at 4:41 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > 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 > > jalem...@vt.edu | (540) 231-3129 > http://www.biochem.vt.edu/people/faculty/JustinLemkul.html > > ================================================== > > -- > Gromacs Users mailing list > > * Please search the archive at http://www.gromacs.org/Support > /Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.