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compare-forces

##Comparing forces and potentials in ESPResSo.

This is a script that compares forces and potentials of angular bonds by numerical differentiation. It is an adaptation of a script called compare_potentials_and_forces.tcl from the ESPResSo simulation package. Rather than changing the bond distance by dr, this script changes the bond angle between three beads by d\theta.

To be done:

  • Check the rotation
  • Check the calculation of force
  • Understand the scaling

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Comparing forces and potentials in ESPResSo

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