[MMTK] Segmentation fault, normal modes calculation

Konrad Hinsen hinsen at cnrs-orleans.fr
Thu Jan 11 14:16:27 UTC 2007

On Jan 11, 2007, at 14:53, Nathalie Reuter wrote:

> joining an interesting discussion :-)
> Does the Calpha FF yield zero forces as well?

Yes. Both DeformationForceField and CalphaForceField are force fields  
that assume every given configuration to be a minimum of potential  
energy. The energy and its gradients are therefore zero, only the  
force constant matrix is non-zero.

Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr

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