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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