> > hi i am trying to run mdrun for protein in membrane system. When i run > mdrun i get a warning
Check out the wiki link Justin provided. Also read http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation and make sure your setup regime is reasonable. Also, when you run grompp, pay attention to the warning messages. You'll get at least one for this .mdp file. > my mdp file is: > title = popc128a > integrator = md > define = -DFLEX_SPC > dt = 0.001 > nsteps = 500 > nstxout = 500 > ns_type = grid > pbc = xyz > constraints = hbonds > constraints_algorithm= shake > coulombtype = PME > vdwtype = cut-off > rcoloumb = 1.0 > nstlist = 10.0 > Tcoupl = no > pcoupl = no > compressibility = 4.5e-5 > gen_temp = 300 > gen_vel = no > Please help. > Thanks in advance. Mark _______________________________________________ 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
