Hi everyone, I want to use PBC only in xy direction but get error "Segmentation fault (core dumped)" during energy minimization. I am using CHARM36 force field and my .mdp file is
integrator = steep emtol = 1000.0 emstep = 0.01 nsteps = 50000 nstlist = 20 cutoff-scheme = Verlet ns_type = grid coulombtype = cut-off rcoulomb = 1.2 rvdw = 1.2 pbc = xy nwall = 2 wall-type = 10-4 wall-atomtype = CR CR wall-density = 5 5 ewald-geometry = 3dc Everything is fine when using pbc = xyz and removing subsequent line. Please help me in solving the problem. Thanks a lot. -- Tushar Ranjan Moharana B. Tech, NIT Warangal Ph D Student, CCMB -- 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.
