[gmx-users] Extracting potential energy of protein units

Using g_energy I can extract the energy of the whole system. But I want to extract the energy (potential energy) of the protein units in my system. Is it possible to do it in GROMACS or any other application? -- gmx-users mailing listgmx-users@gromacs.org

Re: [gmx-users] Extracting potential energy of protein units

On 2010-10-14 21.51, Jyoti Mahalik wrote: Using g_energy I can extract the energy of the whole system. But I want to extract the energy (potential energy) of the protein units in my system. Is it possible to do it in GROMACS or any other application? How would you define that? -- David van der