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-2.19.3-py3-none-any.whl
Algorithm | Hash digest | |
---|---|---|
SHA256 | e0c2c4861e6708a5555891f491c542524c487bb23a7885064ad04f12ddccde9c |
|
MD5 | 3354cb5651559b84ad032ef139075e6f |
|
BLAKE2b-256 | 6bbaa4cc34634229375f5702bcfe9d31c6c52b6d8bea1a18cc35edb1be8c6f0b |