PACKMOL

Initial configurations for Molecular Dynamics Simulations by packing optimization

Institute of Chemistry and Institute of Mathematics
University of Campinas
Institute of Mathematics and Statistics
University of São Paulo
Packmol:
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See also:
The TANGO project
MDLovoFit
LovoAlign
LM Home-Page
JM Home-Page
EGB Home-Page
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Registration

Packmol is free software. You can redistribute it and/or modify it under the terms of the MIT License.

In order to keep our motivation in developing the software, we kindly ask that you register your download. And please cite the reference below in your publications if the software was useful:

L. Martínez, R. Andrade, E. G. Birgin, J. M. Martínez. Packmol: A package for building initial configurations for molecular dynamics simulations. Journal of Computational Chemistry, 30(13):2157-2164, 2009.

You can also download Packmol from THIS SITE without registering, but please give preference to this site, and recommend registration to people to whom you have passed packmol to.

Please fill the form below:
(If you have downloaded Packmol before, fill the E-mail field only.)
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If you exprience any problem while downloading, please write to leandromartinez98@gmail.com


Personal information will not be published and is used only for academic purposes.

Packmol is under constant development, and new features and bug fixes may introduce other bugs and regressions. Please let us know if you find any problem, or regressions, so we can fix them.