[phenixbb] phenix.refine - blocking sorry error
Maxime Cuypers
maximecuypers at gmail.com
Wed Apr 24 06:41:38 PDT 2013
hello,
i just installed the latest buid of phenix : 1356
i now get the following error in phenix.refine - this was ok with
previous version
'
Sorry: Your refinement strategy includes anisotropic ADPs for hydrogen
atoms refined individually; hydrogens should be left as isotropic even
for individual refinement.
'
which is the new specific command to add to the .params file that will
force anisotropic refinement of deuteriums please?
PS: this is needed for my neutron structure refinement.
thanks for your help
--
Dr. Maxime Cuypers
Institut Laue Langevin (ILL), Deuteration lab
Rue Jules Horowitz, 6, BP 156
38042 Grenoble cedex 9
France
More information about the phenixbb
mailing list