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vincefn / objcryst

Free Objects for Crystallography : Fox / ObjCryst++
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Rigid bodies are not rigid when using least squares #26

Open vincefn opened 7 years ago

vincefn commented 7 years ago

Probably complicated to implement: would require a pure rigid-body modelling. Alternatively, use high restraints or least squares constraints...

Check relation with MD ?

vincefn commented 7 years ago

Need to use Lagrange multipliers