Re: [gmx-users] the energy of the individual molecule

2018-02-14 Thread Justin Lemkul
On 2/13/18 11:48 AM, dgfd dgdfg wrote: Suppose the trajectory of molecular system with interactions between all molecules. How is to obtain the time dependence of intramolecular energy of the given molecule with unique resname and the total energy of this molecule in the system including int

[gmx-users] the energy of the individual molecule

2018-02-13 Thread dgfd dgdfg
Suppose the trajectory of molecular system with interactions between all molecules. How is to obtain the time dependence of intramolecular energy of the given molecule with unique resname and the total energy of this molecule in the system including intermolecular interactions? -- Gromacs Users