> I am using ptraj to calculate some radial pair distributions between
>
> It seems the second column represents rpd values. Would be glad to know
> what the third column stands for?
The integrated value (occupancy).
> I am also calculating correlation coefficients from the same trajectory.
> Here is my input file:
>
> trajin md.crd
> vector vec :1-3 dipole
> analyze correlationcoefficient {vec | ALL}
That syntax means specify a vector name or ALL, so
analyze correlationcoefficient ALL
or
analyze correlationcoefficient vec
--tec3.utah.edu
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Received on Wed Nov 15 2006 - 06:07:33 PST
