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:
Download
Input Examples
User guide
Utilities
External links
Applications
Reference:
Citation
Features
Version history
Contact:
E-mail
Regular mail
See also:
ComplexMixtures.jl
MDLovoFit
CellListMap.jl
LovoAlign
The TANGO project
M3G 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://m3g.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).