Re: [gmx-users] minimization force criteria

On 7/26/12 8:30 AM, tarak karmakar wrote: Dear All, While running minimization I imposed the the condition for the minimization as to be converged only at Fmax < 10 . But I got the following Stepsize too small, or no change in energy. Converged to machine precision, but not to the requested

[gmx-users] minimization force criteria

Dear All, While running minimization I imposed the the condition for the minimization as to be converged only at Fmax < 10 . But I got the following Stepsize too small, or no change in energy. Converged to machine precision, but not to the requested precision Fmax < 10 Double precision normally