TSRC subblock in QUILD block

The Transition State Reaction Coordinates that are used to construct the special initial Hessian, should be given in the TSRC subblock of QUILD. Similar to the CONSTR subblock, the distances, angles, or dihedrals should be specified, one per line, with atom numbers. The atom numbers should refer to the atoms as they are found in the ATOMS block.

QUILD
  TSRC
    dist   1 2
    angle  1 2 3
    dihed  1 2 3 4
  SUBEND
END

 

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