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

Verified 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

Release history Release notifications | RSS feed

2.20.20

2.20.19

2.20.18

2.20.17

2.20.15

2.20.14

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2.18.9

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This version

2.12.7

2.12.6

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2.12.3

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2.12.1

2.12.0

2.11.3

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2.5.0

2.4.3

2.4.2

2.4.1

2.4.0

2.3.8

2.3.7

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