[gmx-users] Xavier Periole,I'v tried it again.

[nanyu101]

Dear Xavier Periole,
  I have tried energy minimization again.The force and energy lest below.i think it's fine now.What's your opinion?
  Back Off! I just backed up ener.edr to ./#ener.edr.2#
Steepest Descents:
   Tolerance         =  2.00000e+02
   Number of steps   =        20000

Back Off! I just backed up traj.trr to ./#traj.trr.2#

writing lowest energy coordinates.

Back Off! I just backed up popcem.gro to ./#popcem.gro.2#

Steepest Descents converged to 200 in 1109 steps
  Potential Energy  = -1.88963e+05
Maximum force:  1.69615e+02


Best wishes,
Xianhui Wu
______________________________________

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