Discover Minimization Input File


!    INPUT FILE FOR DISCOVER GENERATED BY INSIGHT
! 
! 
      overlap = 0.01

      begin simulation
     *    add-automatic bond torsion valence out-of-plane
      reduce
! 
      set dielectric  = 1.000000
! 
! 
! 
      Minimize
     *    no cross terms
     *    no morse
     *    for 1000 iterations
     *    using conjugate gradient
     *    until the maximum derivative is less than 0.001000000 kcal/A 
! 
! 
      end

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Last updated: 01/23/2001