Re: [gmx-users] infinitive force acting on atom during minimization

Hi Joern, Did you first perform an energy minimization in vacuum? The values you get indicate severe problems with your starting structure. By the way, for such a system you don't want to use a cubic box. It's an utter waste of resources. You're better off with a rhombic dodecahedron, or you can

[gmx-users] infinitive force acting on atom during minimization

dear users, i try to simulate a system of DNA (17 bp) and a protein (420 aa). before i start my MD runs, i solvated the system in a cubic box (-d = 0.9) and started a minimization of it using the em.mdp file which you can see at the bottom of this email. unfortunately the minimization breaks (se