UFF Output Data Blocks

$coord

contains the (updated) cartesian coordinates of the atoms (default: $coord file=coord).

$ufftopology

contains the full information of the topology of the molecule and the whole force field terms (see below; default: $ufftopology file=ufftopology).

$uffgradient

contains the accumulated cartesian analytical gradients (default: $uffgradient file=uffgradient).

$uffhessian

contains the cartesian analytical Hessian;
(default: $uffhessian file=uffhessian0-0).