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Next: Covariance Analysis Up: Density Analysis Previous: Density Analysis

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 12.1.3.
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) ).

Xplor-NIH 2024-09-13