mdp file is parameter file for md simulations. You need to copy if you want to use the parameters used in the tutorial. You can also change that parameter according to your use and need.
On Sat, Feb 17, 2018 at 7:34 AM, neelam wafa <neelam.w...@gmail.com> wrote: > ---------- Forwarded message ---------- > From: "neelam wafa" <neelam.w...@gmail.com> > Date: 17 Feb 2018 00:57 > Subject: how to get .mdp files > To: <gromacs.org_gmx-users-ow...@maillist.sys.kth.se> > Cc: > > Hi > I am new to this list. I have run the gromacs tutorial ' lysosime in > water'. now i have to run a protein ligand simmulation. But i am confused > about how to generate .mdp files as in tutorial they have used five .mdp > files which are to be downloaded from bevanlab.biochem. These are ions.mdp, > em.mdp, nvt.mdp, npt.mdp and md.mdp. Are the same files to be used or these > have to be generated with aome software according to the protein and > ligand. > > Thanks in advance. > > Regards > Neelam > -- > 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.
