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[Licence| Download | New Version Template] aeme_v1_0.tar.gz(35280 Kbytes)
Manuscript Title: LAMMPS Framework for Dynamic Bonding and an Application Modeling DNA.
Authors: Carsten Svaneborg
Program title: LAMMPS Framework for Directional Dynamic Bonding
Catalogue identifier: AEME_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 183(2012)1793
Programming language: C++.
Computer: Single and multiple core servers.
Operating system: Linux/Unix/Windows.
Has the code been vectorised or parallelized?: Yes. The code has been parallelized by the use of MPI directives.
RAM: 1Gb
Keywords: Dynamic bonding, Directional bonds, Molecular dynamics.
PACS: 81.16.Fg, 82.39.Pj, 87.15.ap.
Classification: 16.11, 16.12.

Nature of problem:
Simulating coarse-grain models capable of chemistry e.g. DNA hybridization dynamics.

Solution method:
Extending LAMMPS to handle dynamic bonding and directional bonds.

Unusual features:
Allows bonds to be created and broken while angular and dihedral interactions are kept consistent.

Running time:
Hours to days. The examples provided in the distribution take just seconds to run.