[gmx-users] Reproducing results with independent runs

2013-11-09 Thread alex.bjorling
Dear users, I am investigating protein crystal packing artifacts by doing equilibrium simulations starting from a crystal structure. I would like to know if the relaxations i see are reproducible, in the sense that many simulations with independent velocities give the same general result. My

Re: [gmx-users] Reproducing results with independent runs

2013-11-09 Thread Mark Abraham
On Sat, Nov 9, 2013 at 9:36 AM, alex.bjorling alex.bjorl...@gmail.comwrote: Dear users, I am investigating protein crystal packing artifacts by doing equilibrium simulations starting from a crystal structure. I would like to know if the relaxations i see are reproducible, in the sense that