Some questions about the orthogonality of colvars in ABF.

From: yjcoshc (
Date: Wed Mar 15 2017 - 07:11:46 CDT

Dear All,

I am confused about the orthogonality of colvars and the
oneSiteTotalForce option in the user guide. The user guide says:

atoms involved in the force measurement on i do not participate in the
definition of j . This can be obtained using the option
oneSiteTotalForce of the distance, angle, and dihedral components
(example: Ramachandran angles , ).

Does that means the oneSiteTotalForce option only affect the measurement
of the forces and doesn't have effect when applying the forces to atoms?
If two colvars have overlapping atoms and they apply the bias forces to
their common atoms, are these two colvars still mutual orthogonality?


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