[Dock-fans] Simplex minimization

Yasser Almeida Hernández pedro.al at fenhi.uh.cu
Fri Sep 25 12:55:34 PDT 2009


Hi all!!

In the simplex energy minimization, each vertex represent what?
How match the simplex approach (3-simplex, tetrahedron) with the atom  
coordinates and rotable bonds (torsions) during the energy minimization?
I hope you help me..

Thanks..

-- 
Lic. Yasser Almeida Hernández
Center of Molecular Inmunology (CIM)
Nanobiology Group
P.O.Box 16040, Havana 11600, Cuba
Phone: (537) 271-7933, ext. 221

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