[phenixbb] force field of PHENIX.refine ?

Pavel Afonine pafonine at lbl.gov
Thu Dec 2 15:48:27 PST 2010

  Hi Chen,

energy function:

Grosse-Kunstleve RW, Afonine PV, Adams PD:
cctbx news: Geometry restraints and other new features
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 4, 

Target values:

CCP4 Monomer Library and phenix.elbow or phenix.ready_set


On 12/2/10 3:43 PM, chene at umbi.umd.edu wrote:
> Dear authors of PHENIX,
> I just want to know what force field is used by phenix.refine,
> especially for simulated annealing, CHARMM, AMBER, or what else?
> Thanks.
> Chen
> Chen Chen, PhD, Research Associate
> Center for Advanced Research in Biotechnology (CARB),
> University of Maryland Biotechnology Institute (UMBI),
> 9600 Gudelsky Drive, Rockville, MD 20850
> 240-314-6122

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