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Manuscript Title: Easy creation of polymeric systems for Molecular Dynamics with Assemble!
Authors: Matteo T. Degiacomi, Valentina Erastova, Mark R. Wilson
Program title: Assemble!
Catalogue identifier: AEZE_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 202(2016)304
Programming language: Python 2.7.X.
Computer: Workstations.
Operating system: Windows, Linux, Mac OS X.
RAM: Depending on molecule database size and final system size: 10-20 Mb in console mode, 30-150 Mb using the GUI
Keywords: Polymers, mixture, molecular dynamics.
Classification: 16.11.

External routines: numpy, wxpython (if using the GUI)

Nature of problem:
Preparation of complex polymeric systems for molecular dynamics simulations with Gromacs.

Solution method:
Creation of polymers collections using monomer units and a Gromacs-compatible force field. Packing multiple polymer copies in a box accord- ing to desired concentration.

Additional comments:
User manual and tutorial with necessary input files are distributed with the program

Running time:
System dependent, but typically less than 5 seconds