zzhwise1 wrote: > hi all > i have a problem:when i did the mdrun ,it stopped early for > error:Maximum force = 9.0996275e+09 on atom 606 > Norm of force = 2.8519283e+08 > > does this cause by the conformation?and how to resolve it?
Yes. You are probably simulating with a structure that is either non-physical, or not energy-minimized before equilibration. If you haven't tried working through some tutorial material, now might be a good time to consider doing that. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
