[gmx-users] Re: Extracting energy components

[Huafeng Xu]

I used make_ndx to make the index file, put in the mdp file the following 
line:

energygrps = HE SOL

where HE is my first group and SOL is the solvent group.

grompp'ed the mdp file, and used 

mdrun -rerun HE.trr ...

to recompute the energies. But now I cannot find a way to extract the 
energy components. More help?

Huafeng