[gmx-users] Bonds - force constant for given Beads

[Steven Neumann]

Dear Gmx Users,


I am planning to build coarse grained model based on the all atom
simulation. I created (using VMD) beads representing 2-4 atoms of my
protein chain. I want to extract bonded parameters. The equilibrium
lenght for bonds (between specified beads) would be the average over
the equilibrium from all atom simulation using g_dist between Centre
of Mass of group of atoms belonging to given bead.

My question: How can I extract the force constant for the bonds from
all atom simulation between those beads?

Thank you,

Steven