Efficient sampling of solvent free energies in polymers

Journal of Chemical Physics

Volumn 109, Issue 17, 1998, Pages 7578-7582

  Van Der Vegt, N F A ^a   Briels, W J ^a  

^a UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000127201     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477379     Document Type: Article

References (31)

1. Y. Tamai, H. Tanaka, and K. Nakanishi, Mol. Simul. 16, 359 (1996).
2. Y. Tamai, H. Tanaka, and K. Nakanishi, Macromolecules 29, 6750 (1996).
3. Y. Tamai, H. Tanaka, and K. Nakanishi, Macromolecules 29, 6761 (1996).
4. F. Müller-Plathe, Chem. Phys. Lett. 252, 419 (1996).
5. F. Müller-Plathe, Macromolecules 29, 4782 (1996).
6. F. Müller-Plathe and W. F. van Gunsteren, Polymer 38, 2259 (1997).
7. L. Fritz and D. Hofmann, Polymer 38, 1035 (1997).
8. Y. Tamai, H. Tanaka, and K. Nakanishi, Macromolecules 28, 2544 (1995).
9. B. Knopp, U. W. Suter, and A. A. Gusev, Macromolecules 30, 6107 (1997).
10. B. Knopp and U. W. Suter, Macromolecules 30, 6114 (1997).
11. P. M. King, in Computer Simulations of Biomolecular Systems, edited by W. F. van Gunsteren, P. K. Weiner, and A. J. Wilkinson (ESCOM, Leiden, 1993), Vol. 2, pp. 267-314.
12. W. F. van Gunsteren, T. C. Beutler, F. Fraternali, P. M. King, A. E. Mark, and P. E. Smith, in Ref. 11, Vol. 2, pp. 315-348.
13. A. P. Lyubartsev, A. A. Martsinovski, S. V. Shevkunov, and P. N. Vorontsov-Velyaminov, J. Chem. Phys. 96, 1776 (1992).
14. B. B. Laird and A. D. J. Haymet, Mol. Phys. 75, 71 (1992).
15. T. C. Beutler, A. E. Mark, R. C. van Schaik, P. R. Gerber, and W. F. van Gunsteren, Chem. Phys. Lett. 222, 529 (1994).
16. M. Zacharias, T. P. Straatsma, and J. A. McCammon, J. Chem. Phys. 100, 9025 (1994).
17. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science, Oxford, 1987).
18. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
19. R. M. Lynden-Bell and J. C. Rasaiah, J. Chem. Phys. 107, 1981 (1997).
20. X. Kong and C. L. Brooks III, J. Chem. Phys. 105, 2414 (1996).
21. Z. Guo, C. L. Brooks III, and X. Kong, J. Phys. Chem. B 102, 2032 (1998).
22. W. F. van Gunsteren and H. J. C. Berendsen, GROMOS Reference Manual (Groningen, The Netherlands, 1987).
23. D. A. McQuarrie, Statistical Mechanics (Harper Collins, New York, 1987).
24. N. F. A. van der Vegt, W. J. Briels, M. Wessling, and H. Strathmann, J. Chem. Phys. 105, 8849 (1996).
25. W. Dietz and K. Heinzinger, Ber. Bunsenges. Phys. Chem. 88, 543 (1984).
26. I. G. Tironi and W. F. van Gunsteren, Mol. Phys. 83, 381 (1994).
27. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, and A. Di Nola, J. Chem. Phys. 81, 3684 (1984).
28. J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comput. Phys. 23, 327 (1977).
29. I. Blume, P. J. F. Schwering, M. H. V. Mulder, and C. A. Smolders, J. Membr. Sci. 61, 85 (1991).
30. G. C. Maitland, M. Rigby, E. B. Smith, and W. A. Wakeham, Intermolecular Forces (Clarendon, Oxford, 1981).
31. A. A. Gusev and U. W. Suter, Phys. Rev. A 43, 6488 (1991).