NSUBSYS=[int array] - define the last atom for each
subsystem (two or three values must be supplied).
TSUBSYS=[real array] - simulation temperature for each
PSUBSYS=[real array] - collision probability for atoms in each
subsystem. Only the values from interval PSUBSYS are allowed.
For instance, if total of 20 atoms is defined in the POSCAR file, whereby the initial 10 atoms belong to the subsystem 1, the next 7 atoms to the subsystem 2, and the last 3 atoms to the subsystem 3, the NSUBSYS should be defined as follows:
NSUBSYS= 10 17 20
Note that the last number in the previous example is actually redundant (clearly the last three atoms belong to the last subsystem) and does not have to be user-supplied.