Hi, There is a detailed online tutorial. http://www.mdtutorials.com/gmx/
It has everything you need. Best, Saumyak On Thu, 31 Jan 2019 at 10:51, 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. > -- =========================== *Saumyak Mukherjee* Senior Research Fellow Solid State and Structural Chemistry Unit Indian Institute of Science Bengaluru - 560012 =========================== -- 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.