On Thu, Oct 18, 2012 at 10:53 AM, <[email protected]> wrote:
> Steepest Descents converged to machine precision in 20385 steps, > but did not reach the requested Fmax < 10. > Potential Energy = -8.8805600e+05 > Maximum force = 3.2341940e+02 on atom 3050 > Norm of force = 2.0930219e+00 > > I do not see why it can not reach a lower force. Probably you run mdrun in single precision. To reach such low force you normally need a double precision mdrun. Do you actually need such a low force ? There were many messages on this subject from Justin on this very list, please look them up. Good luck with your simulations! Bogdan -- 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
