Hello Nilesh, it sounds like you have a similar problem to mine, except my original run has large energy fluctuations and the rerun does not. By chance is your gromacs version installed with mpi on? i think i have narrowed my problem to a bug in the installation with mpi.
If you search for my "inconsistent energy drops" post from about a month ago you can see my report on what ive observed and see if it matches your problem. Brad -- View this message in context: http://gromacs.5086.x6.nabble.com/fluctuation-of-energy-in-rerun-tp5010956p5010997.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
