Dear gromacs user, I am doing simulation of Gal1P protein in explicit solvent.when i did energy minimization of system i got this warning:- Warning: 1-4 interaction between 2779 and 2788 at distance 1.005 which is larger than the 1-4 table size 1.000 nm These are ignored for the rest of the simulation This usually means your system is exploding if not, you should increase table-extension in your mdp file.
i added table -extention 1.1 in mdp file but i am steel gettingsame problem.kindly help me. i am pasting em.mdp file for your considerartion thanks in advance. title = Gal1p cpp = /lib/cpp define = -DFLEXIBLE constraints = none integrator = steep dt = 0.002 ; ps ! nsteps = 50000 nstlist = 10 nstcomm = 1 nstxout = 1000 ns_type = grid rlist = 1.0 rcoulomb = 1.0 rvdw = 1.1 ; ; Energy minimizing stuff ; emtol = 100 emstep = 0.01 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
