Closed granepura closed 1 year ago
When running step3 for data with a large number of conformers (I have ~3500), step3 says it is done running in the run.log, however the vdw0, vdw1, tors, epol and dsolv values are still being updated and job is still running in the queue.
When running step3 for data with a large number of conformers (I have ~3500), step3 says it is done running in the run.log, however the vdw0, vdw1, tors, epol and dsolv values are still being updated and job is still running in the queue.