Hi, You need to rerun grompp with revised .mdp file to generate a new .tpr file for you new, longer runs. mdrun doesn't interact with .mdp file directly.
Regards Terry On Fri, Jul 3, 2015 at 9:57 AM, Sivanandam M <sivanandam...@gmail.com> wrote: > Dear Gromacs users, > I have problem in running final step > (md.mdp). i ran the job as nsteps=5000, dt=0.002, it is for 10 PS level. > it runs properly. After that i increased the values nsteps= 50000, 500000 > dt =0.002, (that means 100 PS , 1000 PS) in md.mdp file.It also gives > output same as a 10 PS. i have attached my md.mdp and Gromacs script file > from this mail. Please give your valuable suggestion how to I run more > than 10 PS level. > > Thank you > > -------------------------------------------------------- > M.SIVANANDAM > Research Scholar > Department of Physics > Periyar University > Salem-636 011 > Mobile- 9965582730, 9042066076 > -------------------------------------------------------- > > -- > 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.