I have rolled up the results from the last batches of data, which completes that batch of data against the current protein. I was also asked by Oxford to run the same data against the previous protein. Until I hear otherwise, that is what we are going to do. Today I submitted a new job that runs the first batch of the latest data a gainst the previous protein we ran against late last year.
This job seems to be taking much longer than the ones we have been running lately. Therefore, I have reduced the ligand count back down to 600. Some members may have received a slow 1200 ligand workunit. If so, please dump that workunit because I have deleted the job and no credit will be given for results.
Finally, it will take a while for one of these workunits to complete. It is possible that there is some sort of problem with these workunits and that they may fail in the final stages of execution. I do not expect this, but I did not get a chance to test this on another system first. If there is some sort of a problem, we will deal with it quickly.
It will be interesting to see if we get any aborts like we did against the previous protein and what that rate is.