Dear Justin, Thank you for your Previous Reply. I have got the following Error in EM using steepest Descent method in gromacs
Warning: 1-4 interaction between 4728 and 4733 at distance 3.030 which is larger than the 1-4 table size 3.000 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 or with user tables increase the table size I know That my System is exploding .I have checked that my ouput .gro file in VMD there is No error . in my system. Then What KInd of Physical Parameter lead to error My box size is ./editconf_d -f 1OG2O.gro -o 1OG2Onewbox1.gro -center 7.0 8.0 7.0 -box 14.0 16.0 14.0 my Em.mdp file as follows integrator = steep emtol = 1000 emstep = 0.01 constraints = none nsteps = 50000 nstlist = 1 ns_type = grid rlist = 2.0 coulombtype = PME rcoulomb = 2.0 rvdw = 2.0 pbc = xyz Is there is any contradiction. between box Size and .mdp parameters I am sure There is No error in .top and .gro file Then what could be the Source of error Thanks in Advance With Regards S.Vidhyasankar -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
