Dear LAMMPS users
Hi, there, recently I was doing the research about the GB-chain model. I connect the GB particles to form a polymer chain, however, the orientation of them was chaos in each particle, I tried to control their long axes along the chain direction, but it seems impossible by existing LAMMPS function.
Some functions in LAMMPS I tried are:
angle_dipole, it can control the vector angles between dipolar particles, maybe it can control the orientation of GB particles, but it works only for dipolar atoms.
asphere_line, it contains the end point to connect bodies, but it works only in 2D system. Maybe it’s possible to connect the end points of two GB particles phsically.
The ways above seems not ideal for the GB polymer chain model.
My problem is that:
Though the potential is assigned to a point in the space, can LAMMPS connect GB-particles with their end-point physically?
Is that possible to assign GB potential to a 2-point system (like a line segment), which the ellipsoid shape rotates coherently with the chain direction?
Any help would be very appreciated!