[CP2K-user] Colvar RMSD Keywords

MD Simulation mdsimula... at gmail.com
Wed Jul 29 16:47:56 UTC 2020

For the Colvar RMSD input, can someone give me a run down on how you would 
use the keywords: ATOMS, SUBSET_TYPE, WEIGHTS?

If I would like all the atoms to be in the RMSD colvar, would I use 
"SUBSET_TYPE ALL" and then not need to worry about setting ATOMS or 

Also, is the WEIGHTS molecular weight of the atoms?

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