Mountain, R.
and Hubbard, J.
(1998),
Molecular Dynamics Simulation of Tethered Chains, NIST Interagency/Internal Report (NISTIR), National Institute of Standards and Technology, Gaithersburg, MD
(Accessed March 13, 2025)
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Molecular Dynamics Simulation of Tethered Chains
Published
Author(s)
,
Abstract
A description is provided for a molecular dynamics code that simulates the dynamics of long chain molecules tethered to a smooth surface. The operation of the code is discussed from the point of view of the user. The structure of the input files is described and a discussion on how to change the state of the system (temperature and density/molecule) is provided. The steps needed to change the model are listed. Properties derived from some simulations are provided. A listing of the source code is included in an appendix.Citation
NIST Interagency/Internal Report (NISTIR) - 6150
Report Number
6150
NIST Pub Series
Pub Type
NIST Pubs
Keywords
density profile, energy profile, long chain molecules, molecular dynamics, source listing, united atom model
Citation
Issues
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Created April 1, 1998, Updated October 16, 2008