Dear all, I got WARNING after mdrun, which says:
"WARNING: Listed nonbonded interaction between particles 794 and 797 at distance 3f which is larger than the table limit 3f nm. This is likely either a 1,4 interaction, or a listed interaction inside a smaller molecule you are decoupling during a free energy calculation. Since interactions at distances beyond the table cannot be computed, they are skipped until they are inside the table limit again. You will only see this message once, even if it occurs for several interactions. IMPORTANT: This should not happen in a stable simulation, so there is probably something wrong with your system. Only change the table-extension distance in the mdp file if you are really sure that is the reason." I don't quite understand the 'table limit 3f', what does it mean? In our system, the bonded interactions is FENE, and the non-bonded LJ interactions are between every coarse-grained beads by setting nrexcl=0 in topology file. Thank you very much for your help. Kind regards, Li -- 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
