Isotropic periodic sum: A method for the calculation of long-range interactions

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Wu, Xiongwu ^a   Brooks, Bernard R ^a  

^a NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ISOTROPIC PERIODIC SUM (IPS) METHODS; LONG-RANGE INTERACTIONS; MOLECULAR MODELING; MOLECULAR SYSTEMS;

BOUNDARY CONDITIONS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; IMAGE ANALYSIS; MATHEMATICAL MODELS; MULTIPROCESSING SYSTEMS;

MOLECULAR DYNAMICS;

EID: 22944443583     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1836733     Document Type: Article

References (24)

1. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Clarendon, Oxford, 1987).
2. M. Karplus and G. A. Petsko, Nature (London) 347, 631 (1990).
3. P. J. Steinbach and B. R. Brooks, J. Comput. Chem. 15, 667 (1994).
4. C. L. Brooks III, B. M. Pettitt, and M. Karplus, J. Chem. Phys. 83, 5897 (1985).
5. K. S. Kim, Chem. Phys. Lett. 156, 261 (1989).
6. B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, B. Jaun, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
7. J. A. Baker and R. O. Watts, Mol. Phys. 26, 789 (1973).
8. I. G. Tironi, R. Sperb, P. E. Smith, and W. F. van Gusteren, J. Chem. Phys. 102, 5451 (1995).
9. P. H. Hunenberger and W. F. van Gusteren, J. Chem. Phys. 108, 6117 (1998).
10. G. Hummer, L. R. Pratt, and A. E. Garcia, J. Chem. Phys. 107, 9275 (1996).
11. G. Hummer and D. M. Soumpasis, Phys. Rev. E 49, 591 (1994).
12. S. W. de Leeuw, J. W. Perram, and E. R. Smith, Proc. R. Soc. London, Ser. A 373, 27 (1980).
13. P. P. Ewald, Ann. Phys. (Leipzig) 64, 253 (1921).
14. T. Darden, D. York, and L. Pedesen, J. Chem. Phys. 98, 10089 (1993).
15. U. Essmann, L. Perera, and M. L. Berkowitz, J. Chem. Phys. 103, 8577 (1995).
16. J. W. Eastwood, R. W. Hockney, and D. Lawrence, Comput. Phys. Commun. 19, 215 (1980).
17. L. Greengard, The Rapid Evaluation of Potential Fields in Particle Systems (MIT, Cambridge, MA, 1988).
18. B. A. Luty, I. G. Tironi, and W. F. van Gusteren, J. Chem. Phys. 103, 3014 (1995).
19. Z. Kurtovic, M. Marchi, and D. Chandler, Mol. Phys. 78, 1155 (1993).
20. P. Lague, R. W. Pastor, and B. R. Brooks, J. Phys. Chem. B 108, 363 (2004).
21. A. D. MacKerell, Jr., D. Bashford, M. Bellott et al., J. Phys. Chem. B 102, 3586 (1998).
22. K. Brejc, W. J. van Dijk, R. V. Klaassen, M. Schuurmans, O. J. van Der, A. B. Smit, and T. K. Sixma, Nature (London) 411, 269 (2001).
23. J. A. Baker and R. O. Watts, Mol. Phys. 26, 789 (1973).
24. D. J. Adams and G. S. Dubey, J. Comput. Phys. 72, 156 (1987).