Dynamic Monte Carlo simulation for cascade interfacial mixing
β Scribed by J.H. Kim; H.J. Kang; K.H. Chae; J.H. Song; J.J. Woo; C.N. Whang; H.K. Kim; D.W. Moon
- Book ID
- 113282865
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 514 KB
- Volume
- 71
- Category
- Article
- ISSN
- 0168-583X
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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
Although Monte Carlo and molecular dynamics are the primary methods used for free energy simulations of molecular systems, their application to molecules that have multiple conformations separated by energy barriers of 2 3 kcal/mol is problematic because of slow rates of convergence. In this article