Next: Parameters Up: Center Of Mass Trajectory Previous: Center Of Mass Trajectory Contents

####
Theory and implementation

The COMT analysis consists in deriving the trajectory of the respective centers of mass of a set of groups of atoms. In order to produce a visualizable trajectory, nMOLDYN assigns the centers of mass to pseudo-hydrogen atoms whose mass is equal to the mass of their associated group. Thus, the produced trajectory can be reused for other analysis. In that sense, COMT analysis is a practical way to reduce noticeably the dimensionality of a system.