MTD CV: &REACTION_PATH janos... at
Sat Nov 12 12:45:34 UTC 2011

Dear all,

I was wondering, if it is possible to define atoms to be
indistinguishable for the RMSD calculation in Reaction Path CV. That
is, if I have a reaction in which the solvent takes part, can I define
the colvar so, that _any_ solvet's attack is counted to be the same?
It would be the same idea as using coordination number. So I would
need to define a subset of atoms to be identical. Is it possible

Thank you for your answer in advance!


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