Hi, 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.
Dan On Tuesday, August 9, 2016, Omamuyovwi Akemu <omamuyovwiak...@yahoo.com> wrote: > 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-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.
