On Wed, Jan 16, 2013 at 8:37 AM, Marcelo Depolo <marcelodep...@gmail.com> wrote: > > I was minimizing my system (with only proteins) and i got this error in the > log: > > *Polak-Ribiere Conjugate Gradients: > Tolerance (Fmax) = 1.00000e-01 > Number of steps = -1 > F-max = 4.76837e+04 on atom 3684 > F-Norm = 2.99917e+02 > > > Stepsize too small, or no change in energy. > Converged to machine precision, > but not to the requested precision Fmax < 0.1 > > WARNING: there may be something wrong with energy file prt_cg.edr > Found: step=-1, nre=36, nblock=0, time=-1. > Trying to skip frame expect a crash though* >
http://www.gromacs.org/Documentation/Errors#Stepsize_too_small.2c_or_no_change_in_energy._Converged_to_machine_precision.2c_but_not_to_the_requested_precision -- Elton Carvalho Tel.: +55 11 3091-6985/6922 Dept Física dos Materiais e Mecânica Instituto de Física Universidade de São Paulo P.O. Box 66318 - 05314-970 São Paulo-SP, Brazil -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
