-SHAKE: an extension to SHAKE for the explicit treatment of angular constraints (Q603369)
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scientific article; zbMATH DE number 5812975
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| English | -SHAKE: an extension to SHAKE for the explicit treatment of angular constraints |
scientific article; zbMATH DE number 5812975 |
Statements
-SHAKE: an extension to SHAKE for the explicit treatment of angular constraints (English)
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6 November 2010
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molecular dynamics
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simulations
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constraints
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angular constraints
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\texttt{SHAKE}
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M-SHAKE
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P-SHAKE
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Lagrange multipliers
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0.7819275856018066
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0.766538143157959
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0.766524076461792
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0.7638802528381348
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0.7504164576530457
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