Greetings of the day, Can I use nvt.mdp and npt.mdp parameter file given in tutorial ( http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/complex_old/index.html) for my 5 ns production run? As the tutorial shows 100 ps nvt and npt equilibration and 1000 ps (1 ns) MD Simulation run. Which parameter should be changed if there is any problem.
What are the post-simulation analysis commands used for the analysis for protein+drug complex? regards Kashif -- 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.
