CONSTRAINT

NAME
CONSTRAINT - Constrain bendings.
SYNOPSIS
CONSTRAINT SHAKE
CONSTRAINT MIM  mimlim
DESCRIPTION
Select procedure for fulfilling constraints. With the argument SHAKE ORAC uses SHAKE. With argument MIM ORAC  uses the matrix inversion method (MIM). In the latter case the maximum physical dimension of the constraint matrix mimlim must be specified. MIM is best used in conjunction with STRETCHING HEAVY
DEFAULTS
BENDING off


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procacci 2021-12-29