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From: Miguel C. <mig...@aa...> - 2014-06-06 16:06:17
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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
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