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Forcite
-------
Task             : Geometry Optimization
Version          : 6.0
Build date       : Dec  8 2011
Host             : WIN-V0FJFGH9EFN
Threads          : Parallel 10
Operating system : Windows
Task started     : Thu Mar 27 14:38:02 2014

---- Geometry optimization parameters ----

Algorithm                       : Smart
Convergence tolerance:
  Energy                        : 0.0001 kcal/mol
  Force                         : 0.005 kcal/mol/A
  Stress                        : 0.005 GPa
  Displacement                  : 5e-005 A
Maximum number of iterations    : 1000
External pressure               : 0 GPa
Motion groups rigid             : YES
Optimize cell                   : NO

---- Energy parameters ----

Forcefield                      : COMPASS
Electrostatic terms:
  Summation method              : Ewald
  Accuracy                      : 1e-005 kcal/mol
  Buffer width                  : 0.5 A

van der Waals terms:
  Summation method              : Atom based
  Truncation method             : Cubic spline
  Cutoff distance               : 18.5 A
  Spline width                  : 1 A
  Buffer width                  : 0.5 A

Energy Server failed.
The typing engine has failed to calculate a forcefield type for 2 particles.
Try using a different forcefield or assign types manually (and remember to turn off the automatic calculation of forcefield types).
Unable to calculate energy and gradients.
Geometry optimization finished with an error condition.




Task terminated               : Thu Mar 27 14:38:03 2014
Total CPU time used by Forcite: 1 seconds (1.06s)

Termination status : Error

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