Field validation of the AMBRA program simulation
β Scribed by F. Bloisi; S. Catalanotti; M. De Luca; M. Matarazzo; L. Vicari
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 407 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0306-2619
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Figure 8 Reconstruction of a 2-D configuration of small cylinders. Ε½ . Ε½ . a True objects. b Best chromosome of the first generation. Fit-Ε½ . ness s 0.9963340. c Best chromosome of the 500th generation. Ε½ . Fitness s 0.9999881. d Best chromosome of the 1000th generation. Ε½ . Fitness s 0.9999915. e B
## Abstract A molecular mechanics parameter set for the nitroxyl spinβlabel 3βformylβ2,2,5,5βtetramethylβ1βoxypyrroline was developed by application of Gaussian94 at the HF/6β31G(d) level suitable for use in molecular dynamics simulations. The parameter set was validated through molecular dynamics