[Rings-code-news] XYZ format for static configuration

[Miguel C. <mig...@aa...>]

Dear RINGS users,

I am trying to use the code for the first time. I want to obtain ring 
statistics for a static configuration, but the program doesn't seem to 
be reading in my data file properly.

I have chosen the ANI option and have a standard xyz file called 3.12.xyz:

    Number of atoms
    System name
    x1 y1 z1
    x2 y2 z2
    ...

RINGS is complaining wiht the following error message:

    Error in CPMD file format :: node   0, Please check file:data/3.12.xyz

It looks like RINGS is expecting a different file format but which one?

Regrads,
Miguel
-- 
*Dr. Miguel Caro*
/Postdoctoral researcher/
Department of Electrical Engineering and Automation,
and COMP Centre of Excellence in Computational Nanoscience
Aalto University, Finland
Personal email: *mc...@gm...*
Work: *mig...@aa...*
Website: http://mcaroba.dyndns.org