Hi, What does this mean?
Program mdrun, VERSION 4.0.7 Source code file: constr.c, line: 243 Software inconsistency error: constrain called for forces while not doing energy minimization, can not do this while the LINCS and SETTLE constraint connection matrices are mass weighted Below is part of the .mdp file. I do not know which part is wrong cause it's hard for me to understand the error they described. ; Parameters describing what to do, when to stop and what to save integrator = nm constraints = hbonds emtol = 1000.0 emstep = 0.01 nsteps = 500 nstlist = 1 ns_type = grid rlist = 0.3 coulombtype = Switch vdwtype = Switch rcoulomb = 0.1 rvdw = 0.1 pbc = xyz Thanks for any explanations. lina -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
