| 1 |
chrisfen |
2743 |
\begin{thebibliography}{10} |
| 2 |
|
|
|
| 3 |
|
|
\bibitem{Roux99} |
| 4 |
|
|
B.~Roux and T.~Simonson, {\em Biophys. Chem.\/} {\bf 78}, 1 (1999). |
| 5 |
|
|
|
| 6 |
|
|
\bibitem{Sagui99} |
| 7 |
|
|
C.~Sagui and T.~A. Darden, {\em Annu. Rev. Biophys. Biomol. Struct.\/} {\bf |
| 8 |
|
|
28}, 155 (1999). |
| 9 |
|
|
|
| 10 |
|
|
\bibitem{Tobias01} |
| 11 |
|
|
D.~J. Tobias, {\em Curr. Opin. Struct. Biol.\/} {\bf 11}, 253 (2001). |
| 12 |
|
|
|
| 13 |
|
|
\bibitem{Born20} |
| 14 |
|
|
M.~Born, {\em Z. Physik\/} {\bf 1}, 45 (1920). |
| 15 |
|
|
|
| 16 |
|
|
\bibitem{Grossfield00} |
| 17 |
|
|
A.~Grossfield, J.~Sachs, and T.~B. Woolf, {\em Proteins\/} {\bf 41}, 211 |
| 18 |
|
|
(2000). |
| 19 |
|
|
|
| 20 |
|
|
\bibitem{Ewald21} |
| 21 |
|
|
P.~P. Ewald, {\em Ann. Physik\/} {\bf 64}, 253 (1921). |
| 22 |
|
|
|
| 23 |
|
|
\bibitem{Steinbach94} |
| 24 |
|
|
P.~J. Steinbach and B.~R. Brooks, {\em J. Comput. Chem.\/} {\bf 15}, 667 |
| 25 |
|
|
(1994). |
| 26 |
|
|
|
| 27 |
|
|
\bibitem{Onsager36} |
| 28 |
|
|
L.~Onsager, {\em J. Am. Chem. Soc.\/} {\bf 58}, 1486 (1936). |
| 29 |
|
|
|
| 30 |
|
|
\bibitem{Rokhlin85} |
| 31 |
|
|
V.~Rokhlin, {\em J. Comput. Phys.\/} {\bf 60}, 187 (September 1985). |
| 32 |
|
|
|
| 33 |
|
|
\bibitem{Wolf99} |
| 34 |
|
|
D.~Wolf, P.~Keblinski, S.~R. Phillpot, and J.~Eggebrecht, {\em J. Chem. |
| 35 |
|
|
Phys.\/} {\bf 110}, 8255 (1999). |
| 36 |
|
|
|
| 37 |
|
|
\bibitem{Essmann99} |
| 38 |
|
|
U.~Essmann and M.~L. Berkowitz, {\em Biophys. J.\/} {\bf 76}, 2081 (1999). |
| 39 |
|
|
|
| 40 |
|
|
\bibitem{deLeeuw80} |
| 41 |
|
|
S.~W. {de Leeuw}, J.~W. Perram, and E.~R. Smith, {\em Proc. R. Soc. London Ser. |
| 42 |
|
|
A\/} {\bf 373}, 27 (1980). |
| 43 |
|
|
|
| 44 |
|
|
\bibitem{Allen87} |
| 45 |
|
|
M.~P. Allen and D.~J. Tildesley, {\em Computer Simulations of Liquids\/} |
| 46 |
|
|
(Oxford University Press, New York, 1987). |
| 47 |
|
|
|
| 48 |
|
|
\bibitem{Brush66} |
| 49 |
|
|
S.~G. Brush, H.~L. Sahlin, and E.~Teller, {\em J. Chem. Phys.\/} {\bf 45}, 2102 |
| 50 |
|
|
(September 1966). |
| 51 |
|
|
|
| 52 |
|
|
\bibitem{Woodcock71} |
| 53 |
|
|
L.~V. Woodcock and K.~Singer, {\em Trans. Faraday Soc.\/} {\bf 67}, 12 (1971). |
| 54 |
|
|
|
| 55 |
|
|
\bibitem{Smith81} |
| 56 |
|
|
E.~R. Smith, {\em Proc. R. Soc. London Ser. A\/} {\bf 375}, 475 (1981). |
| 57 |
|
|
|
| 58 |
|
|
\bibitem{Karasawa89} |
| 59 |
|
|
N.~Karasawa and W.~A. {Goddard III}, {\em J. Phys. Chem.\/} {\bf 93}, 7320 |
| 60 |
|
|
(1989). |
| 61 |
|
|
|
| 62 |
|
|
\bibitem{Kolafa92} |
| 63 |
|
|
J.~Kolafa and J.~W. Perram, {\em Mol. Simul.\/} {\bf 9}, 351 (1992). |
| 64 |
|
|
|
| 65 |
|
|
\bibitem{Perram88} |
| 66 |
|
|
J.~W. Perram, H.~G. Petersen, and S.~W. {de Leeuw}, {\em Mol. Phys.\/} {\bf |
| 67 |
|
|
65}, 875 (1988). |
| 68 |
|
|
|
| 69 |
|
|
\bibitem{Hockney81} |
| 70 |
|
|
R.~W. Hockney and J.~W. Eastwood, {\em Computer Simulation Using Particles\/} |
| 71 |
|
|
(McGraw-Hill, New York, 1981). |
| 72 |
|
|
|
| 73 |
|
|
\bibitem{Shimada93} |
| 74 |
|
|
J.~Shimada, H.~Kaneko, and T.~Takada, {\em J. Comp. Chem.\/} {\bf 14}, 867 |
| 75 |
|
|
(1993). |
| 76 |
|
|
|
| 77 |
|
|
\bibitem{Luty94} |
| 78 |
|
|
B.~A. Luty, M.~E. Davis, I.~G. Tironi, and W.~F. {van~Gunsteren}, {\em Mol. |
| 79 |
|
|
Simul.\/} {\bf 14}, 11 (1994). |
| 80 |
|
|
|
| 81 |
|
|
\bibitem{Luty95} |
| 82 |
|
|
B.~A. Luty, I.~G. Tironi, and W.~F. {van~Gunsteren}, {\em J. Chem. Phys.\/} |
| 83 |
|
|
{\bf 103}, 3014 (1995). |
| 84 |
|
|
|
| 85 |
|
|
\bibitem{Darden93} |
| 86 |
|
|
T.~Darden, D.~York, and L.~Pedersen, {\em J. Chem. Phys.\/} {\bf 98}, 10089 |
| 87 |
|
|
(1993). |
| 88 |
|
|
|
| 89 |
|
|
\bibitem{Essmann95} |
| 90 |
|
|
U.~Essmann, L.~Perera, M.~L. Berkowitz, T.~Darden, H.~Lee, and L.~G. Pedersen, |
| 91 |
|
|
{\em J. Chem. Phys.\/} {\bf 103}, 8577 (1995). |
| 92 |
|
|
|
| 93 |
|
|
\bibitem{Parry75} |
| 94 |
|
|
D.~E. Parry, {\em Surf. Sci.\/} {\bf 49}, 433 (1975). |
| 95 |
|
|
|
| 96 |
|
|
\bibitem{Parry76} |
| 97 |
|
|
D.~E. Parry, {\em Surf. Sci.\/} {\bf 54}, 195 (1976). |
| 98 |
|
|
|
| 99 |
|
|
\bibitem{Heyes77} |
| 100 |
|
|
D.~M. Heyes, M.~Barber, and J.~H.~R. Clarke, {\em J. Chem. Soc., Faraday Trans. |
| 101 |
|
|
II\/} {\bf 73}, 1485 (1977). |
| 102 |
|
|
|
| 103 |
|
|
\bibitem{deLeeuw79} |
| 104 |
|
|
S.~W. {de Leeuw} and J.~W. Perram, {\em Mol. Phys.\/} {\bf 37}, 1313 (1979). |
| 105 |
|
|
|
| 106 |
|
|
\bibitem{Rhee89} |
| 107 |
|
|
Y.-J. Rhee, J.~W. Halley, J.~Hautman, and A.~Rahman, {\em Phys. Rev. B\/} {\bf |
| 108 |
|
|
40}, 36 (1989). |
| 109 |
|
|
|
| 110 |
|
|
\bibitem{Spohr97} |
| 111 |
|
|
E.~Spohr, {\em J. Chem. Phys.\/} {\bf 107}, 6342 (1997). |
| 112 |
|
|
|
| 113 |
|
|
\bibitem{Yeh99} |
| 114 |
|
|
I.-C. Yeh and M.~L. Berkowitz, {\em J. Chem. Phys.\/} {\bf 111}, 3155 (1999). |
| 115 |
|
|
|
| 116 |
|
|
\bibitem{Kawata01} |
| 117 |
|
|
M.~Kawata and M.~Mikami, {\em Chem. Phys. Lett.\/} {\bf 340}, 157 (2001). |
| 118 |
|
|
|
| 119 |
|
|
\bibitem{Arnold02} |
| 120 |
|
|
A.~Arnold, J.~{de Joannis}, and C.~Holm, {\em J. Chem. Phys.\/} {\bf 117}, 2496 |
| 121 |
|
|
(2002). |
| 122 |
|
|
|
| 123 |
|
|
\bibitem{deJoannis02} |
| 124 |
|
|
J.~{de Joannis}, A.~Arnold, and C.~Holm, {\em J. Chem. Phys.\/} {\bf 117}, 2503 |
| 125 |
|
|
(2002). |
| 126 |
|
|
|
| 127 |
|
|
\bibitem{Brodka04} |
| 128 |
|
|
A.~Br\'{o}dka, {\em Chem. Phys. Lett.\/} {\bf 400}, 62 (2004). |
| 129 |
|
|
|
| 130 |
|
|
\bibitem{Roberts94} |
| 131 |
|
|
J.~E. Roberts and J.~Schnitker, {\em J. Chem. Phys.\/} {\bf 101}, 5024 (1994). |
| 132 |
|
|
|
| 133 |
|
|
\bibitem{Roberts95} |
| 134 |
|
|
J.~E. Roberts and J.~Schnitker, {\em J. Phys. Chem.\/} {\bf 99}, 1322 (1995). |
| 135 |
|
|
|
| 136 |
|
|
\bibitem{Luty96} |
| 137 |
|
|
B.~A. Luty and W.~F. {van~Gunsteren}, {\em J. Phys. Chem.\/} {\bf 100}, 2581 |
| 138 |
|
|
(1996). |
| 139 |
|
|
|
| 140 |
|
|
\bibitem{Hunenberger99a} |
| 141 |
|
|
P.~H. H\"{u}nenberger and J.~A. McCammon, {\em J. Chem. Phys.\/} {\bf 110}, |
| 142 |
|
|
1856 (1999). |
| 143 |
|
|
|
| 144 |
|
|
\bibitem{Hunenberger99b} |
| 145 |
|
|
P.~H. H\"{u}nenberger and J.~A. McCammon, {\em Biophys. Chem.\/} {\bf 78}, 69 |
| 146 |
|
|
(1999). |
| 147 |
|
|
|
| 148 |
|
|
\bibitem{Weber00} |
| 149 |
|
|
W.~Weber, P.~H. H\"{u}nenberger, and J.~A. McCammon, {\em J. Phys. Chem. B\/} |
| 150 |
|
|
{\bf 104}, 3668 (2000). |
| 151 |
|
|
|
| 152 |
|
|
\bibitem{Zahn02} |
| 153 |
|
|
D.~Zahn, B.~Schilling, and S.~M. Kast, {\em J. Phys. Chem. B\/} {\bf 106}, |
| 154 |
|
|
10725 (2002). |
| 155 |
|
|
|
| 156 |
|
|
\bibitem{Jones56} |
| 157 |
|
|
R.~E. Jones and D.~H. Templeton, {\em J. Chem. Phys.\/} {\bf 25}, 1062 (1956). |
| 158 |
|
|
|
| 159 |
|
|
\bibitem{Heyes81} |
| 160 |
|
|
D.~M. Heyes, {\em J. Chem. Phys.\/} {\bf 74}, 1924 (1981). |
| 161 |
|
|
|
| 162 |
|
|
\bibitem{Rahman71} |
| 163 |
|
|
A.~Rahman and F.~H. Stillinger, {\em J. Chem. Phys.\/} {\bf 55}, 3336 (October |
| 164 |
|
|
1971). |
| 165 |
|
|
|
| 166 |
|
|
\bibitem{Adams79} |
| 167 |
|
|
D.~J. Adams, E.~M. Adams, and G.~J. Hills, {\em Mol. Phys.\/} {\bf 38}, 387 |
| 168 |
|
|
(1979). |
| 169 |
|
|
|
| 170 |
|
|
\bibitem{Andrea83} |
| 171 |
|
|
T.~A. Andrea, W.~C. Swope, and H.~C. Andersen, {\em J. Chem. Phys.\/} {\bf 79}, |
| 172 |
|
|
4576 (1983). |
| 173 |
|
|
|
| 174 |
|
|
\bibitem{Barker73} |
| 175 |
|
|
J.~A. Barker and R.~O. Watts, {\em Mol. Phys.\/} {\bf 26}, 789 (1973). |
| 176 |
|
|
|
| 177 |
|
|
\bibitem{Metropolis53} |
| 178 |
|
|
N.~Metropolis, A.~W. Rosenbluth, M.~N. Rosenbluth, A.~H. Teller, and E.~Teller, |
| 179 |
|
|
{\em J. Chem. Phys.\/} {\bf 21}, 1087 (1953). |
| 180 |
|
|
|
| 181 |
|
|
\bibitem{Berendsen87} |
| 182 |
|
|
H.~J.~C. Berendsen, J.~R. Grigera, and T.~P. Straatsma, {\em J. Phys. Chem.\/} |
| 183 |
|
|
{\bf 91}, 6269 (1987). |
| 184 |
|
|
|
| 185 |
|
|
\bibitem{Meineke05} |
| 186 |
|
|
M.~A. Meineke, C.~F. {Vardeman II}, T.~Lin, C.~J. Fennell, and J.~D. Gezelter, |
| 187 |
|
|
{\em J. Comp. Chem.\/} {\bf 26}, 252 (2005). |
| 188 |
|
|
|
| 189 |
|
|
\bibitem{Ponder87} |
| 190 |
|
|
J.~W. Ponder and F.~M. Richards, {\em J. Comp. Chem.\/} {\bf 8}, 1016 (1987). |
| 191 |
|
|
|
| 192 |
|
|
\bibitem{Leach01} |
| 193 |
|
|
A.~R. Leach, {\em Molecular Modeling: Principles and Applications\/} (Pearson |
| 194 |
|
|
Educated Limited, Harlow, England, 2001), second edition. |
| 195 |
|
|
|
| 196 |
|
|
\bibitem{Kast03} |
| 197 |
|
|
S.~M. Kast, K.~F. Schmidt, and B.~Schilling, {\em Chem. Phys. Lett.\/} {\bf |
| 198 |
|
|
367}, 398 (2003). |
| 199 |
|
|
|
| 200 |
|
|
\bibitem{EPAPSdeposit} |
| 201 |
|
|
See EPAPS Document No. \_\_\_\_\_\_\_\_\_\_\_\_\_\_ for the supporting |
| 202 |
|
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information. This document may be retrieved via the EPAPS homepage |
| 203 |
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({http://www.aip.org/pubservs/epaps.html}) or from {ftp.aip.org} in |
| 204 |
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the directory /epaps/. See the EPAPS homepage for more information. |
| 205 |
|
|
|
| 206 |
|
|
\end{thebibliography} |