Dear GROMACS users,
After 20 ns production run, my simulation got crashed with the following error: Fatal error: "DD cell 1 0 0 could only obtain 605 of the 606 atoms that are connected via constraints from the neighboring cells. This probably means your constraint lengths are too long compared to the domain decomposition cell size. Decrease the number of domain decomposition grid cells or lincs-order or use the -rcon option of mdrun." I have used the following options related to lincs in my .mdp file: lincs_iter = 1 lincs_order = 4 now I want to restart my simulation, by making use of the "-rcon" option with out disturbing lincs options as they are related to accuracy. Here my doubt is how I can I select value for the -rcon to restart my simulation ? or Is there any better option to get rid of this error ? Thank you in advance. Regards, Ramesh. -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
