Hi, I got this error. Can anyone explain me what it means.
WARNING: This run will generate roughly 10571 Mb of data starting mdrun 'UNITED ATOM STRUCTURE FOR MOLECULE LIG in water' 10000000 steps, 20000.0 ps. NOTE: Turning on dynamic load balancing DD cell 3 0 0: Neighboring cells do not have atoms: 30 DD cell 5 0 0: Neighboring cells do not have atoms: 41 ------------------------------------------------------- Program mdrun, VERSION 4.6.5 Source code file: /build/buildd/gromacs-4.6.5/src/mdlib/domdec_con.c, line: 722 Fatal error: DD cell 3 0 0 could only obtain 16 of the 17 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. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ------------------------------------------------------- Mishelle -- 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.
