Re: [gmx-users] Problem to compute interaction energy between different groups

On 11/24/17 11:00 AM, ARNAB MUKHERJEE wrote: Hello, I have simulated a system of DNA and Protamine (Coarse grained, Martini). I want to look at the interaction energy between different groups like DNA - Protamine, DNA - ions, etc. I have defined energy groups in the mdp file, and I pass the in

[gmx-users] Problem to compute interaction energy between different groups

Hello, I have simulated a system of DNA and Protamine (Coarse grained, Martini). I want to look at the interaction energy between different groups like DNA - Protamine, DNA - ions, etc. I have defined energy groups in the mdp file, and I pass the index file with the groups while building the tpr f