[gmx-users] Energy profiles for 2 separate peptide chains in a simulation box.

[Mark Abraham]

Huey Ling Tan wrote:
> The reason I want to do this is to compare the energy of both the 
> peptide chains to find out whether they has reached equilibrium or not 
> (it should be not much different between them as they are identical 
> peptide chains). Therefore, I think by comparing the total energy for 
> each of the peptide chain will do.. is that right?

No, that won't tell you whether they're equilibrated. Two balls rolling 
down the same hillside have the same energy and they're not in equilibrium.

Mark