Syntax

DYNAmics

{ ANALyze DENSity <dynamics-density-statement> } END is invoked from the main level of X-PLOR.

<dynamics-density-statement> :==

<trajectory-statement>

defines input data; see Section 11.1.3.

MINImum-image

BOXX=<real> BOXY=<real>
BOXZ=<real> END defines x,y,z dimensions of a rectangular box for periodic boundary conditions (default: no periodic boundary conditions).

ORIGin=<vector>

provides the origin of a sphere (default: (0 0 0)).

OUTPut=<filename>

writes results to the specified file (default: OUTPUT).

RADIus=<real>

provides the radius of a sphere (default: 0).

RGRId=<real>

calculates an equal-volume profile in steps of RGRId (default: 2).

SPECies=<selection>

selects atoms (default: (ALL) ).