moltemplate


Namemoltemplate JSON
Version 2.22.2 PyPI version JSON
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home_pagehttps://github.com/jewettaij/moltemplate
SummaryA general cross-platform text-based molecule builder for LAMMPS
upload_time2025-02-02 03:13:13
maintainerNone
docs_urlNone
authorAndrew Jewett
requires_pythonNone
licenseMIT
keywords simulation lammps molecule editor molecule builder espresso
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            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.

            

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