Sir, Can anyone suggest how I can use ethanol force field to solvate and run MD for my molecule. Please help.
On Thu 31 Jan, 2019, 10:48 AM Satya Ranjan Sahoo <satyasahoo...@gmail.com wrote: > Sir, > I am a beginner to GROMACS. I was unable to understand how to create all > the ions.mdp , md.mdp , mout.mdp , minim.mdp , newbox.mdp , npt.mdp , > nvt.mdp , porse.itp , topol.top input files for molecular simulation of my > molecule. Please teach me how can I generate or create all the above > mentioned input files for my molecule. > -- 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.
