---------- 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.
