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, 19-36.
Target values:
CCP4 Monomer Library and phenix.elbow or phenix.ready_set
Pavel.
On 12/2/10 3:43 PM, chene@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