Re: [gmx-users] About Potential energy calculation

On 5/6/13 5:58 PM, jhon michael espinosa duran wrote: Hi all I am doing an NVE simulation of a protein immersed in water, and I want to keep track of the potential energy in the protein. Do you know how can I do it?. I tried saving the energy of the protein ( the protein as an energy group)

[gmx-users] About Potential energy calculation

Hi all I am doing an NVE simulation of a protein immersed in water, and I want to keep track of the potential energy in the protein. Do you know how can I do it?. I tried saving the energy of the protein ( the protein as an energy group) in the .edr file, but when I checked the file with g_en