Hi,
when I am trying to use the compute inertia/molecule on a molecule defined by fix rigid, I receive an error message like:
"ERROR: Invalid compute style (modify.cpp:883)"
I compiled LIGGGHTS together with the MOLECULE package and I am wondering why this would be an invalid compute style?
My files are attached to this post.
Best regards,
MiRa
| Attachment | Size |
|---|---|
 in.traegheit.txt | 1.57 KB |
| particles.dat_.txt | 266 bytes |
sbateman | Mon, 02/03/2014 - 18:00
What version of LIGGGHTS are
What version of LIGGGHTS are you using? I think compute inertia/molecule is only available in 3.0.0.