26 Dec
2025
26 Dec
'25
5:58 p.m.
I am trying to refine using the Amber force file via the GUI (phenix 1.21.1-5286) and get a runtime error, phenix.AmberPrep seemed to run fine. Sent a bug report via the system, but I am new at this and it may be ‘operator error.’ The log file reports an initial R-factor but bombs trying get weights it seems. I am providing it the 4phenix pdb file made by AmberPrep as the starting coordinates. Any clues apppreciated. Gemini AI says [ ] Link programs: phenix.build_amber_interface but I can’t find such a thing in this version of phenix, so I am thinking that is for an older version. Files available if someone wants them. Thanks, George