[gmx-users] System expansion

Dear Gromacs users, I experience a very strange problem. I have a well equilibrated system consisting of a protein, a ligand, ions and water. On most machines I run my simulations on, everything is just fine. Except for one compute cluster, where the system undergoes an extreme expansion when

Re: [gmx-users] System expansion

Hi Oliver - Hmm. Did you try to start from (a little bit) different configurations on the problematic machine? Or re-install gromacs there, perhaps? Dr. Vitaly Chaban On Thu, Jun 20, 2013 at 3:44 PM, Oliver Schillinger o.rus...@fz-juelich.dewrote: Dear Gromacs users, I experience a