Re: AMBER: Ptraj: radial distribution and correlation coefficient

From: Austin B. Yongye <ayongye.chem.uga.edu>
Date: Tue, 14 Nov 2006 14:02:27 -0500 (EST)

When I use this input:
trajin md.crd
vector vec :1-3 dipole
analyze correlationcoefficient vec
go

I get this error message:
ptraj(), analyzeCorrelationCoefficient: cannot find a match in the
scalarStack for name (vec), returning

This other input:
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.

austin-
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Received on Wed Nov 15 2006 - 06:07:33 PST
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