A general cross-platform text-based molecule builder for LAMMPS

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  • License: BSD License
  • Author: Andrew Jewett
  • Tags simulation, LAMMPS, molecule editor, molecule builder, ESPResSo
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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

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Avatar for jewettaij from gravatar.com jewettaij

Unverified details

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Project links
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  • License: BSD License
  • Author: Andrew Jewett
  • Tags simulation, LAMMPS, molecule editor, molecule builder, ESPResSo
Classifiers

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2.20.20

2.20.19

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This version

2.11.0

2.10.17

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