AMBER Archive (2006)

Subject: Re: AMBER: Ptraj: radial distribution and correlation coefficient

From: Thomas Cheatham (
Date: Tue Nov 14 2006 - 13:17:40 CST

> trajin md.crd
> vector vec :1-3 dipole
> analyze correlationcoefficient vec
> ptraj(), analyzeCorrelationCoefficient: cannot find a match in the
> scalarStack for name (vec), returning

Hmmn, I look into that...

> trajin md.crd
> #vector vec :1-3 dipole
> analyze correlationcoefficient ALL
> go
> Returns this error message:
> ptraj(), analyzeCorrelationCoefficient: missing the second name on
> scalarStack to process... Returning.

Yes, I e-mailed too quickly; you need to specify two scalar variables.
Also, the "vector" is not a scalar so the correlationcoefficient command
is not what you want.

What do you want to do? Perhaps see the "correlation" command?

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