A general cross-platform text-based molecule builder for LAMMPS
Moltemplate is a general cross-platform text-based molecule builder for LAMMPS and ESPResSo. Moltemplate was intended for building custom coarse-grained molecular models, but it can be used to prepare realistic all-atom simulations as well. It supports a variety of force fields for all-atom and coarse-grained modeling (including many-body forces and non-point-like particles). New force fields and examples are added continually by users. NOTE: Downloading moltemplate from pypi using PIP will omit all examples and documentation. Examples and documentation are available at https://moltemplate.org and https://github.com/jewettaij/moltemplate.
Release history Release notifications | RSS feed
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Hashes for moltemplate-2.20.7-py3-none-any.whl