Hello, sorry for so many questions. I am currently trying to run csg_inverse. I am not setting any walltime and I am getting the following:
Doing iteration 1 (dir step_001) Incomplete step 1 Simulation with gromacs Simulation is not finished, but a checkpoint was found, so it seems walltime is nearly up, stopping now, resume csg_inverse whenever you want. Seems I cannot get further then step 1, even if I restart the calculation or do it with a set wall time for a large number. It is only a tryal run, so there are nto many steps to be done, so the calculation itself is taking very little time. Thank you very much for your help, V -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
