Dear gmx comunity, I have been running my system without any problems with 100 processors. But I decided to make some of the bonds of my main molecule constrains. My molecule is not an extended chain, it is a molecular hydrated ion, in particular the uranyl cation with 5 water molecules forming a pentagonal by bipyramid. At this point I get a domain decomposition error and I would like to reduce rcon in order to run with 100 processors. Since I know that by the shape of my molecule, two atoms connected by several constraints will never be further appart than 0.6nm, can I use this safely for -rcon?
Thank you very much! Best regards, Sergio Pérez-Conesa -- 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.
