[gmx-users] FENE potential (Finitely extensible Nonlinear elastic model)

avinash kumar avinashk.iit.kgp at gmail.com
Fri Aug 29 10:15:04 CEST 2008

Dear All,

           Can FENE be implemented in GROMACS code? The description of FENE is:

FENE is primarily for the bead-spring-type polymer model. It is a bonded
interaction. Explicitly, its standard form is:

E = -0.5 K R0^2 * ln[1 - (r/R0)^2]

  r = distance (btw two connected beads)

  coeff1 = K (energy/distance^2)
  coeff2 = R0 (distance)

Avinash Kumar.

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