Dear Users This is the output of g_energy command on the em.edr file for my system. I ran a preliminary energy minimization following the solvation and ions addition of my system.
Last energy frame read 855 time 1080.000 Statistics over 1081 steps [ 0.0000 through 1080.0000 ps ], 1 data sets All statistics are over 856 points (frames) Energy Average Err.Est. RMSD Tot-Drift ------------------------------------------------------------------------------- Potential -685672 22000 69839.9 -138494 (kJ/mol) I am unable to understand the meaning of the term "Err. Est" and "Tot-drift". I have consulted the GROMACS manual but I am not satisfied and failed to understand the physical significance. Kindly explain. Thanks & Regards Agnivo Gosai Grad. Student, ISU -- 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.
