This section covers Lennard-Jonesium parameters as they are implemented into the towhee_ff_LJium file in the
This force field exists to do very simple models, mostly for comparison with older simulations or theory.
Lennard-Jonesium in Towhee
The official force field name for Lennard-Jonesium in Towhee is 'LJium'. Here I list all of
the Lennard-Jones atom names currently in the towhee_ff_LJium file, along with a brief description (although
the meaning of the atom names should be obvious).
Please note that the capitalization and spacing pattern is important
and must be followed exactly as listed here.
- 'lj1.0' : a Lennard-Jones sphere with a 1.0 diameter and an epsilon of 1 K.
- 'lj1.0_FENE' : a Lennard-Jones sphere with a 1.0 diameter and an epsilon of 1 K that uses the FENE bonds parameters of Kremer and Grest 1990.
It is possible to combine the Lennard-Jones potential with point charges. Simply assign the point charges to the
atoms as you see fit.
There are no improper torsions set up specifically for Lennard-Jones spheres.
There are no features to build proteins out of Lennard-Jones spheres.
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