Re: [gmx-users] a problem in the energy minimization.the

Hi, read the wiki or search the mailing list archive http://wiki.gromacs.org/index.php/Errors#Stepsize_too_small.2C_or_no_change_in_energy._Converged_to_machine_precision.2C_but_not_to_the_requested_precision On Tuesday, 14. August 2007 11:28, [EMAIL PROTECTED] wrote: > Dear staff: > When I do t

[gmx-users] a problem in the energy minimization.the

Dear staff:When I do the energy minimization of my system contain a protein, an ATP and water molecules using mdrun, it stopped at 15 steps, and return this messege:Steepest Descents:   Tolerance (Fmax)   =  1.0e+00   Number of steps    = 2000Step=    0, Dmax= 1.0e-02 nm, Epot= -3.24259