Simpatico
v1.10
|
The HarmonicL0Bond interaction implements a simple harmonic bond potential with a zero rest length. The potential energy for two covalently bonded atoms separated by a distance
is given by
Different values are defined for the spring constant for each bond type.
The values of are given in the parameter file and source code by an array-valued variable named "kappa". The parameter file format is:
The parameter block a system with two bond types (nBondType=2) might thus look like this: