Re: [gmx-users] dump current rlist in cpt

Hi, On Fri, Nov 21, 2014 at 5:25 AM, Johnny Lu johnny.lu...@gmail.com wrote: Hi. is it possible to check current rlist, and vdw cut-off in a cpt file. In the Verlet scheme, rlist is generally not a fixture, so no. The vdw cut-off is supposed to be, so yes. I want to know if the big energy

[gmx-users] dump current rlist in cpt

Hi. is it possible to check current rlist, and vdw cut-off in a cpt file. I want to know if the big energy jump upon extending/continuing/restarting simulation with gromacs 4.6.7 is caused by the load balancing bug ( http://redmine.gromacs.org/issues/1603) Thank you. -- Gromacs Users mailing