[gmx-users] Stretching a single peptide for PMF calculation

[Sekwan Oh]

Dear gmx-users,

I would like to calculate PMF by stretching a single polypeptide molecule 
in water for free energy analysis.
My idea is to put position-restraint on one atom in one end of the 
polypeptide and pull the atom in the other end to a certain axis.
However, I couldn't find relevant examples on the manual.

Is this idea reasonable for Gromacs?

Thank you.

Sekwan