Jian-Jie Liang posted some info on how to make an infinite chain for an atomistic system with periodic boundary conditions. A similar query came up for systems with mesomolecules.
At least in the past one had to use a script to make a bond between two beads. This idea is picked up in the attached example to make an infinite mesomolecule.
The idea is the following:
- Put your finite mesomolecule into a box with periodic boundary conditions so that the chain goes over a cell boundary (Mesomolecule.xsd).
- Measure the distance between head and tail where we want to make a bond (there must be no further measured distance in the cell). They should be in the same cell.
- Run the script make_bond_for_distance.pl from the attached example.
The resulting structure is quite artificial according to my opinion and has to undergo further relaxation.
