Example: combined maximum-likelihood and simulated-annealing refinement
Brunger, A. T.,
Adams, P. D.,
DeLano, W. L.,
Gros, P.,
Grosse-Kunstleve, R. W.,
Jiang, J.-S.,
Pannu, N. S.,
Read, R. J.,
Rice, L. M. and
Simonson, T.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.6.9,
pp. 517-517
[ doi:10.1107/97809553602060000860 ]
for the crystallographic energy term are carried out after initial energy minimization, and also after molecular-dynamics simulated annealing.
References
Adams, P. D.,
Pannu,
N. S., Read, R. J. & Brünger, A. T. (1997). Cross-validated ...
