Additional LAMMPS code
Some of the moltemplate examples use custom force-fields and other features
useful for large coarse-grained simulations which are not yet part of LAMMPS
(or patches for bugs in existing LAMMPS source files).
Hopefully one day this code will be officially added to LAMMPS.
Until then, whatever code is needed to run the moltemplate examples
can be downloaded from this web-site.
This works best with a recent version of the LAMMPS source code.
or update LAMMPS (to version 2021-Jul-30 or later).
Download additional lammps code .
(If your version of the LAMMPS code is older than 2021-7-30, then download this code instead. If older than 2020-9-17, download this version.)
Meanwhile, documentation for these new LAMMPS fixes and pair styles
is available below:
fix twist documentation (.rst format)
pair_style lj/charmm/coul/charmm/inter documentation
After downloading and unpacking the archive above, copy the files ending
in .cpp and .h to the "src" subdirectory of your LAMMPS installation
and recompile LAMMPS.
This code was tested using the 2021-9-03 version of LAMMPS
Please report bugs to Andrew Jewett