Hi, i am a beginner with Gromacs and i have run the simulation using Gromacs forcefield for 1000 ps* (1ns)* . Now I want to extend it to *150 ns*. How should I proceed? should i change the md.mdp file ?? actually i am using the defaul mdp file in gromacs tutorial : integrator = md ; leap-frog integrator nsteps = 500000 ; 2 * 500000 = 1000 ps, 1 ns dt = 0.002 ; 2 f
so what should i change exactly?? can anyone help me please, Thank you -- *Rahma Dahmani Doctorante en CHIMIE Unité de Recherche: Physico-Chimie des Matériaux à l'état condensé, Laboratoire de Chimie Théorique et Spectroscopie MoléculaireUniversité de Tunis El Manar, Faculté des Sciences de Tunis Campus Universitaire Farhat Hached - BP n ° 94 - Rommana 1068, Tunisie Tél: (+216) 28151042* -- 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.
