[gmx-users] Calculation of energy components for solute only

[Pratul K. Agarwal]

Hi,

May be this is a trivial question -- Is there a way to
calculate the energy components for solute and solvent
separately? My system is protein in water and I am
interested in calculating the energy components of 
protein only (without the water-water terms).

Any input will be greatly appreciated.

Pratul