I have a system that also uses a set of distance restraints The box size is: 7.12792 7.12792 10.25212
When running mdrun -nt 8, I get: Fatal error: There is no domain decomposition for 8 nodes that is compatible with the given box and a minimum cell size of 3.62419 nm However, the largest restrained distance is 2.0 nm and the largest displacement between restrained atoms is 2.63577 nm So why does mdrun set -rdd to 3.62419 nm ? If I run mdrun -rdd 2.8 everything works fine. Thank you, Chris. -- 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
