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

Mark Abraham Mark.Abraham at anu.edu.au
Fri Nov 2 15:00:00 CET 2007

Huey Ling Tan wrote:
> Hi all,
>    I am simulating 2 peptide chains in a box. May I know is it possible 
> to calculate energy profile of each of the peptide chains with time steps?

How will you define the energy of a peptide chain, and what will it tell 


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