A general cross-platform text-based molecule builder for LAMMPS
Project description
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.
Project details
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Hashes for moltemplate-2.19.12-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | c224391ae07d9f3e0962be2e550d1e59b1369b3cd0e20ba34eb666e90e71e263 |
|
MD5 | f14e075bc0a4713cd6f2777d1f0e1b6d |
|
BLAKE2b-256 | 0c10fb752797fd4457e85426c006bd465f31440adfc7e518d89d0ba20c6e9492 |