We evaluate several multiple time step MTS molecular Ε½ . dynamics MD methods with respect to their suitability for protein dynamics simulations. In contrast to the usual check of conservation of total energy or comparisons of trajectory details, we chose a problem-oriented approach and selected a se
A multiple time-step method for molecular dynamics simulations of fluids of chain molecules
β Scribed by R.D Swindoll; J.M Haile
- Book ID
- 107788753
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 566 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0021-9991
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