th.se
[mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of
Apramita Chand
Sent: Tuesday, January 10, 2017 8:53 AM
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] Regarding g_energy of heterogenous systems
Dear All,
In the calculation of various energy terms (Coulombic/LJ
Dear All,
In the calculation of various energy terms (Coulombic/LJ) for interaction
energies between Protein-Solvent systems , do we need to specify -nmol as
total number of molecules of protein and solvent molecules?
If the -nmol option is not specified, the energy value which comes as
output as ,
