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  Rigid-body formalism for simulating macromolecules

Ejtehadi, M. R., & Everaers, R. (2002). Rigid-body formalism for simulating macromolecules. Computer Physics Communications, 147(1-2), 339-341.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-000F-6573-D Version Permalink: http://hdl.handle.net/11858/00-001M-0000-000F-6574-B
Genre: Journal Article

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 Creators:
Ejtehadi, M. R.1, Author              
Everaers, R.1, Author              
Affiliations:
1MPI for Polymer Research, Max Planck Society, ou_1309545              

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 Abstract: In our work we aim at developing a model where macromolecules are represented on a mesoscopic level as an assembly of rigid bodies which interact via arbitrary bonded and non-bonded interactions. For the non-bonded interactions we use a variant of the Gay-Berne potential, while the bonded interactions are split into an orientational part and a harmonic bond between two arbitrary points in the respective material frames. (C) 2002 Elsevier Science B.V All rights reserved.

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Language(s): eng - English
 Dates: 2002-08-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: No review
 Identifiers: eDoc: 28625
ISI: 000177824600072
Other: P-02-125
 Degree: -

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Title: Computer Physics Communications
  Alternative Title : Comput. Phys. Commun.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 147 (1-2) Sequence Number: - Start / End Page: 339 - 341 Identifier: ISSN: 0010-4655