Dear all,
I have a question regarding Lammps’ capability on calculation of repulsive force between two bonds. this is just like force calculation between atoms, however the mid points of these bonds (assuming bonds are straight line relating two corresponding atoms ) are not real particles. In fact, their positions and distance between them are used to calculate an additional force between polymer segments.
I’ve read several papers by two major groups applied this approach and saying they used Lammps for such a bond-bond repulsive force .
I was wondering if anybody knows about this class of force. I appreciate your help!
bests ,
Mouge
Dear all,
I have a question regarding Lammps' capability on calculation of repulsive
force between two bonds. this is just like force calculation between atoms,
however the mid points of these bonds (assuming bonds are straight line
relating two corresponding atoms ) are not real particles. In fact, their
positions and distance between them are used to calculate an additional
force between polymer segments.
I've read several papers by two major groups applied this approach and
saying they used Lammps for such a bond-bond repulsive force .
I was wondering if anybody knows about this class of force. I appreciate
your help!
well, obviously the people that published these papers should know.
there is a bond-bond interaction available in LAMMPS that is part of
the class2 force field support, but your description sounds
differently.
since it es very easy to add new potentials to LAMMPS, there are quite
a few interaction models that people have not (yet) contributed back
to the LAMMPS distribution.
axel.