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Calculation of Long-Range Interactions in Molecular Dynamics and Monte Carlo Simulations

✍ Scribed by Din, Xuedong; Michaelides, Efstathios E.

Book ID
125975693
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
276 KB
Volume
101
Category
Article
ISSN
1089-5639

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## Abstract A mixed Monte Carlo/Molecular Dynamics method using the trial moves for peptide backbone sampling known as Concerted Rotations with Angles was implemented. The algorithm was used to study polyalanine systems. Equivalent results to conventional Molecular Dynamics were obtained for simula