Re: [gmx-users] Energy minimization has stopped....

n 11/5/13 6:28 AM, Kalyanashis Jana wrote: > >> Hi, >>Whenever I am trying to do position retrained MD run, It has been >> stopped >> at middle of the MD run. I have given the following error. Can you please >> suggest me something to resolve this error? >>

[gmx-users] Re: Energy minimization has stopped....

s. > > > > Steepest Descents converged to machine precision in 20514 steps, > > but did not reach the requested Fmax < 100. > > Potential Energy = -9.9811250e+06 > > Maximum force = 6.1228135e+03 on atom 15461 > > Norm of force = 1.4393512e+01 >

[gmx-users] Energy minimization has stopped....

t; 100. Potential Energy = -9.9811250e+06 Maximum force = 6.1228135e+03 on atom 15461 Norm of force = 1.4393512e+01 gcq#322: "The Feeling of Power was Intoxicating, Magic" (Frida Hyvonen) -- Kalyanashis Jana email: kalyan.chem...@gmail.com -- gmx-users mailing listgmx-users@