[CP2K-user] generalized normal coordinates analysis

[FGamez]

Dear CP2K users
I get several BOMD trajectories of floppy molecules with CP2K. To get 
appropriate mode assignments, I am using the nc funcion in the TRAVIS 
package. Using a single reference structure, I get some weird assigments. 
When I tried to add more than one reference structure, I get an error like 
this:

NormalCoordinateObservation::finalize(): Invalid probability for reference 
1 of molecule 1 in step 1.
Maybe it helps to increase the distribution width.
Two identical reference structures can also cause this error.

Is it there any trick to add more than 1 reference structure in the 
calculation?
Kind regards.
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