Defines atom classes andupdates energy lists of the atoms of the "WORK_SEGM" list of segmnet IDs.
Defines the maximal displacement of KICK for positions. The values up to 1.0A are still treatable by the minimizer.
Kicks coordinates of the "active" key by the maximal displacement of KICK specifed before. Default is 0.3A.
Minimizes the selected atoms using the "ON" energy terms.
Minimizes the selected atoms using the "ON" energy terms as a single rigid body.