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
Home Usage Download

E-mail

All questions regarding the usage of Packmol and its application to MD calculations should be adressed to:

Leandro Martínez
leandromartinez98@gmail.com
http://leandro.iqm.unicamp.br


For specific questions about the optimization package GENCAN refer to the site of the Tango Project or send mails to José Mario Martínez (martinez@ime.unicamp.br) or Ernesto G. Birgin (birgin@ime.usp.br).