[gmx-users] Help with MD of water
dgilgmx at gmail.com
Tue Aug 30 15:48:36 CEST 2016
There is a method in gromacs to insert water molecules into a box of size
defined by you. Depending on the version of gromacs you have, it will be
something like gmx insert-molecules.
On Tuesday, August 9, 2016, Omamuyovwi Akemu <omamuyovwiakemu at yahoo.com>
> Dear Gromacs Users,
> I will like to do a molecular dynamics simulation of water in gromacs.
> Thereafter obtain thermodynamics observable like potential energy and well
> as structural and dynamics properties of the system.
> However, I kindly request for help with the topology file (.top) and
> molecular structure file (.gro) or a guide to kick off the simulation.
> I will really appreciate any comment.Thank you.
> Jolayemi Omamuyovwi RitaResearch Student,University of Benin,Nigeria.
> Sent from Yahoo Mail on Android
> 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-request at gromacs.org.
More information about the gromacs.org_gmx-users