[phenixbb] phenix.refine - blocking sorry error

Maxime Cuypers maximecuypers at gmail.com
Wed Apr 24 06:41:38 PDT 2013


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

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