[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


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