AMBER Archive (2006)

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

From: Austin B. Yongye (ayongye_at_chem.uga.edu)
Date: Tue Nov 14 2006 - 13:02:27 CST

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-
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu