[gmx-users] Gromacs 4.6 4.5.3 qualitative differences 4.6 instability in polarizable force field vacuum/liquid mixture interface simulations

Dear Gromacs Users, I am trying to simulate a system consisting of a vacuum/condensed phase interface in which a 6x6x12nm condensed phase region is flanked on both ends (in the z-dimension) by a 6x6x12nm vacuum region to form overall box dimensions of 6x6x36 nm. The system is a binary liquid

Re: [gmx-users] Gromacs 4.6 4.5.3 qualitative differences 4.6 instability in polarizable force field vacuum/liquid mixture interface simulations

On 2013-11-02 18:38, ploetz wrote: Dear Gromacs Users, Please start a redmine.gromacs.org issue and assign it to me, but try to simplify the system as much as possible. You can cut and paste all the information to the redmine issue. I am trying to simulate a system consisting of a