Re: [gmx-users] sd simulations

Ran Friedman wrote: Hi, I'm simulating a system of molecules, made of coarse-grained molecules. Each molecule has 3 uncharged CG atoms so the interactions are governed by LJ, bonds and angles. I use SD for the simulations. My problem is that the LJ energy is not converged in the simulations - it

[gmx-users] sd simulations

Hi, I'm simulating a system of molecules, made of coarse-grained molecules. Each molecule has 3 uncharged CG atoms so the interactions are governed by LJ, bonds and angles. I use SD for the simulations. My problem is that the LJ energy is not converged in the simulations - it just climbs, and the