[Openmd-users] Custom rigidBody and defining force field

[Dan Gezelter]

> 
> PS: Is it possible, that openmd in 2.3 will detect such error? I think that
> 
> OpenMD info:
>        StatWriter detected a numerical error writing: Total Energy
> 
> is not telling user too much.

That's an interesting idea.  A pre-scan to detect overlaps before running might be possible.  I'm not sure it will make it in the queue for 2.3, but I like the idea.

 --Dan

***********************************************
  J. Daniel Gezelter
  Associate Professor of Chemistry
  Department of Chemistry and Biochemistry
  251 Nieuwland Science Hall
  University of Notre Dame
  Notre Dame, IN 46556-5670

  phone:  +1 (574) 631-7595
  e-mail: gezelter at nd.edu
  web:    http://www.nd.edu/~gezelter
************************************************