number of degrees of freedom and constraints/restraints

lml... at gmail.com lml... at gmail.com
Thu Feb 14 11:09:31 UTC 2008


Hi Teo,

I try to use DISTANCE_POINT_PLANE as a COLVAR for metadynamics
calculation. I fix XZ  for atoms in the plane, then I run
metadynamics. The atoms in the plane  still can move. I am afraid that
there is a bug.

By the way, would you be so kind to add a new COLVAR: the hight of one
atom ( coordination Z)?

Thanks a lot!
Limin




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