Simple Force Field Example File (Coarse-Grained Polymer):

forcefield.lt

Aggregation of Simple Coarse Grained Toy Heteropolymers (click below for input files)
monomer with a hydrophobic sidechain bead monomer with a hydrophilic sidechain bead a short polymer

(Note: more complex shapes are possible)
many short polymers
many short polymers
monomer_H.lt
monomer_P.lt
forcefield.lt
polymer.lt system.lt run.in.nvt
Build Using:

 moltemplate.sh system.lt
 
Run Using:

 lmp_mpi -i run.in.nvt
 

Realistic All-Atom Force Field Example File:

oplsaa_simple.lt

Usage Example:

Building a simple polymer (using the OPLS force field) (click below for input files)
CH2 group CH2 group a simple polymer in a vacuum
(Note: more complex shapes are possible)
1ns alkane chain in a vacuum. simulated with LAMMPS
ch3.lt oplsaa_simple.lt ch2.lt oplsaa_simple.lt alkane50.lt
system.lt
run.in.min
run.in.nvt
Build Using:

 moltemplate.sh system.lt
 

Recommendations for extending or augmenting existing force fields are here.


NOTE: General warnings and recommendations for using moltemplate with all-atom force fields are discussed here