Syntax

DYNAmics

ANALyze CORRelation { <dynamics-time-correlation-statement> } END is invoked from the main level of X-PLOR.

<dynamics-time-correlation-statement> :==

<trajectory-statement>

defines the input data; see Section 11.1.3.

FUNCtion=<AC|MSD|VAC>

specifies the type of correlation function to be evaluated.

LENGth=<real>

gives the length of correlation function in psec.

NORMalize=<logical>

normalizes a correlation such that c(0)=1.0.

OUTPut

<filename> writes the correlation function to the specified file.

SPECies=<selection>

gives an average (center of mass) over selected atoms.

SHELl { <shell-statement> } END

provides an additional selection based on dynamical position.

<shell-statement>:==

<trajectory-statement>

CUTHigh=<real>

CUTLow=<real>

MODE=<SELF|SIMUltaneously>

ORIGin=<vector>