Hi I am quite sure I am doing something wrong , but the refinement seems to always re-determine the NCS definitions despite it being set in the ncs.params file in the project defaults directory.
Here is what I did:
- I set the NCS groups definition in the GUI to go from residues 35:445 ,
- I check that using the view pick . Everything looks fine
- I click the Green update and exit button
-
I look at the ncs.params file in the project defaults directory and it indeed reflects the changes .
- I start the refinement from the GUI and the ncs section seems to have been reset to 26:450 . I even tried adding the ncs.params file to the Input files section, but to no avail. The ncs seems to always get re-determined and I end up getting an excessive distance stoppage of refinement. I even made sure I dont have the Find NCS restraints automatically button checked.
Any idea why I cannot get the gui run refinement to remember my ncs definitions.
Thanks in advance
Hari