Hello everyone,
I am running Aria 2.3 with my CCPN project. Since a few times, at the end of iteration 8, Aria stopped running during the data export to CCPN. It should export the structure, assignments and restraints, but instead it only exports the structure, and does not write any error message, the last messages from Aria being those :
“MESSAGE [Protocol]: CCPN export: PDB files exported.
MESSAGE [Protocol]: CCPN export: Using existing constraint set.”
It seems Aria stopped running during the constraints export but I don't know why, I didn't have this problem before with the same molecule. If I relaunch Aria, it does the refinement, but does not export what was missing for the CCPN project.
I also defined the parameters differently so that Aria exports the restraints lists for all iterations (I usually export only for the 8th), and it works for all iterations except the 8th once again, where it stopped.
Does someone know what's happening and how to solve it?
Thank you,
Nicolas
|