A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics-Reference-Cited by-同舟云学术

A Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen Dynamics

Published:2008-09-10 Issue:10 Volume:4 Page:1669-1680
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Cerutti David S.¹,Duke Robert¹,Freddolino Peter L.¹,Fan Hao¹,Lybrand Terry P.¹

Affiliation:

1. Center for Structural Biology, Department of Chemistry, Vanderbilt University, 5140 Medical Research Building III, 465 21st Avenue South, Nashville, Tennessee 37232-8725, Department of Chemistry, University of North Carolina, Campus Box 3290, Chapel Hill, North Carolina 27599-0001, Laboratory of Structural Biology, National Institute of Environmental Health Science, Research Triangle Park, 12 Davis Drive, Chapel Hill, North Carolina 27709-5900, Center for Biophysics and Computational Biology, University...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct8002173

Reference43 articles.

1. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

2. Molecular dynamics with coupling to an external bath

3. Canonical dynamics: Equilibrium phase-space distributions

4. Molecular dynamics simulations at constant pressure and/or temperature

5. Langevin stabilization of molecular dynamics

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