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Revision: 807
Committed: Fri Oct 17 16:07:26 2003 UTC (21 years, 9 months ago) by chrisfen
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Fixed a plot (fullContours.eps had bad labels).

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# User Rev Content
1 chrisfen 757 \begin{thebibliography}{30}
2 chrisfen 743 \expandafter\ifx\csname natexlab\endcsname\relax\def\natexlab#1{#1}\fi
3     \expandafter\ifx\csname bibnamefont\endcsname\relax
4     \def\bibnamefont#1{#1}\fi
5     \expandafter\ifx\csname bibfnamefont\endcsname\relax
6     \def\bibfnamefont#1{#1}\fi
7     \expandafter\ifx\csname citenamefont\endcsname\relax
8     \def\citenamefont#1{#1}\fi
9     \expandafter\ifx\csname url\endcsname\relax
10     \def\url#1{\texttt{#1}}\fi
11     \expandafter\ifx\csname urlprefix\endcsname\relax\def\urlprefix{URL }\fi
12     \providecommand{\bibinfo}[2]{#2}
13     \providecommand{\eprint}[2][]{\url{#2}}
14    
15     \bibitem[{\citenamefont{Jorgensen et~al.}(1983)\citenamefont{Jorgensen,
16     Chandrasekhar, Madura, Impey, and Klein}}]{Jorgensen83}
17     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
18     \bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Chandrasekhar}},
19     \bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Madura}},
20     \bibinfo{author}{\bibfnamefont{R.~W.} \bibnamefont{Impey}}, \bibnamefont{and}
21     \bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Klein}},
22     \bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{79}},
23     \bibinfo{pages}{926} (\bibinfo{year}{1983}).
24    
25     \bibitem[{\citenamefont{Berendsen et~al.}(1987)\citenamefont{Berendsen,
26     Grigera, and Straatsma}}]{Berendsen87}
27     \bibinfo{author}{\bibfnamefont{H.~J.~C.} \bibnamefont{Berendsen}},
28     \bibinfo{author}{\bibfnamefont{J.~R.} \bibnamefont{Grigera}},
29     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{T.~P.}
30     \bibnamefont{Straatsma}}, \bibinfo{journal}{J. Phys. Chem.}
31     \textbf{\bibinfo{volume}{91}}, \bibinfo{pages}{6269} (\bibinfo{year}{1987}).
32    
33     \bibitem[{\citenamefont{Mahoney and Jorgensen}(2000)}]{Jorgensen00}
34     \bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and}
35     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
36     \bibinfo{journal}{J. Chem. Phys.}
37     \textbf{\bibinfo{volume}{112}}(\bibinfo{number}{20}), \bibinfo{pages}{8910}
38     (\bibinfo{year}{2000}).
39    
40     \bibitem[{\citenamefont{Mahoney and Jorgensen}(2001)}]{Jorgensen01}
41     \bibinfo{author}{\bibfnamefont{M.~W.} \bibnamefont{Mahoney}} \bibnamefont{and}
42     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}},
43     \bibinfo{journal}{J. Chem. Phys.}
44     \textbf{\bibinfo{volume}{114}}(\bibinfo{number}{1}), \bibinfo{pages}{363}
45     (\bibinfo{year}{2001}).
46    
47 chrisfen 759 \bibitem[{\citenamefont{Liu and Ichiye}(1996)}]{Ichiye96}
48 chrisfen 743 \bibinfo{author}{\bibfnamefont{Y.}~\bibnamefont{Liu}} \bibnamefont{and}
49     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
50     \bibinfo{journal}{J. Phys. Chem.} \textbf{\bibinfo{volume}{100}},
51 chrisfen 759 \bibinfo{pages}{2723} (\bibinfo{year}{1996}).
52 chrisfen 743
53     \bibitem[{\citenamefont{Bratko et~al.}(1985)\citenamefont{Bratko, Blum, and
54     Luzar}}]{Bratko85}
55     \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}},
56     \bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}}, \bibnamefont{and}
57     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Luzar}}, \bibinfo{journal}{J.
58     Chem. Phys.} \textbf{\bibinfo{volume}{83}}(\bibinfo{number}{12}),
59     \bibinfo{pages}{6367} (\bibinfo{year}{1985}).
60    
61     \bibitem[{\citenamefont{Blum et~al.}(1995)\citenamefont{Blum, Vericat, and
62     Bratko}}]{Bratko95}
63     \bibinfo{author}{\bibfnamefont{L.}~\bibnamefont{Blum}},
64     \bibinfo{author}{\bibfnamefont{F.}~\bibnamefont{Vericat}}, \bibnamefont{and}
65     \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{Bratko}},
66     \bibinfo{journal}{J. Chem. Phys.}
67     \textbf{\bibinfo{volume}{102}}(\bibinfo{number}{3}), \bibinfo{pages}{1461}
68     (\bibinfo{year}{1995}).
69    
70     \bibitem[{\citenamefont{Chandra and Ichiye}(1999)}]{Ichiye99}
71     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}} \bibnamefont{and}
72     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
73     \bibinfo{journal}{J. Chem. Phys.}
74     \textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{2701}
75     (\bibinfo{year}{1999}).
76    
77 chrisfen 757 \bibitem[{\citenamefont{Sagui and Darden}(1999)}]{Darden99}
78     \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Sagui}} \bibnamefont{and}
79     \bibinfo{author}{\bibfnamefont{T.~A.} \bibnamefont{Darden}},
80     \bibinfo{journal}{Annu. Rev. Biophys. Biomol. Struct.}
81     \textbf{\bibinfo{volume}{28}}, \bibinfo{pages}{155} (\bibinfo{year}{1999}).
82    
83 chrisfen 759 \bibitem[{\citenamefont{Tan et~al.}(2003)\citenamefont{Tan, Fischer, Chandra,
84     Brooks, and Ichiye}}]{Ichiye03}
85     \bibinfo{author}{\bibfnamefont{M.-L.} \bibnamefont{Tan}},
86     \bibinfo{author}{\bibfnamefont{J.~T.} \bibnamefont{Fischer}},
87     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Chandra}},
88     \bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}},
89     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Ichiye}},
90     \bibinfo{journal}{Chem. Phys. Lett.} \textbf{\bibinfo{volume}{376}},
91     \bibinfo{pages}{646} (\bibinfo{year}{2003}).
92 chrisfen 743
93     \bibitem[{\citenamefont{Allen and Tildesley}(1987)}]{AllenTildesley}
94     \bibinfo{author}{\bibfnamefont{M.~P.} \bibnamefont{Allen}} \bibnamefont{and}
95     \bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{Tildesley}},
96     \emph{\bibinfo{title}{Computer Simulation of Liquids}}
97     (\bibinfo{publisher}{Oxford University Press}, \bibinfo{address}{New York},
98     \bibinfo{year}{1987}).
99    
100     \bibitem[{\citenamefont{van~der Spoel et~al.}(1998)\citenamefont{van~der Spoel,
101     van Maaren, and Berendsen}}]{Berendsen98}
102     \bibinfo{author}{\bibfnamefont{D.}~\bibnamefont{van~der Spoel}},
103     \bibinfo{author}{\bibfnamefont{P.~J.} \bibnamefont{van Maaren}},
104     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{H.~J.~C.}
105     \bibnamefont{Berendsen}}, \bibinfo{journal}{J. Chem. Phys.}
106     \textbf{\bibinfo{volume}{111}}(\bibinfo{number}{6}), \bibinfo{pages}{10220}
107     (\bibinfo{year}{1998}).
108    
109     \bibitem[{\citenamefont{Hoover}(1985)}]{Hoover85}
110     \bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}},
111     \bibinfo{journal}{Phys. Rev. A}
112     \textbf{\bibinfo{volume}{31}}(\bibinfo{number}{3}), \bibinfo{pages}{1695}
113     (\bibinfo{year}{1985}).
114    
115     \bibitem[{\citenamefont{Hoover}(1986)}]{Hoover86}
116     \bibinfo{author}{\bibfnamefont{W.~G.} \bibnamefont{Hoover}},
117     \bibinfo{journal}{Phys. Rev. A}
118     \textbf{\bibinfo{volume}{34}}(\bibinfo{number}{3}), \bibinfo{pages}{2499}
119     (\bibinfo{year}{1986}).
120    
121     \bibitem[{\citenamefont{Dullweber et~al.}(1997)\citenamefont{Dullweber,
122     Leimkuhler, and McLachlan}}]{Dullweber1997}
123     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Dullweber}},
124     \bibinfo{author}{\bibfnamefont{B.}~\bibnamefont{Leimkuhler}},
125     \bibnamefont{and}
126     \bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{McLachlan}},
127     \bibinfo{journal}{J. Chem. Phys.}
128     \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{15}), \bibinfo{pages}{5840}
129     (\bibinfo{year}{1997}).
130    
131     \bibitem[{\citenamefont{Kol et~al.}(1997)\citenamefont{Kol, Laird, and
132     Leimkuhler}}]{Laird97}
133     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Kol}},
134     \bibinfo{author}{\bibfnamefont{B.~B.} \bibnamefont{Laird}}, \bibnamefont{and}
135     \bibinfo{author}{\bibfnamefont{B.~J.} \bibnamefont{Leimkuhler}},
136     \bibinfo{journal}{J. Chem. Phys.}
137     \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{7}), \bibinfo{pages}{2580}
138     (\bibinfo{year}{1997}).
139    
140     \bibitem[{\citenamefont{Bernal and Fowler}(1933)}]{Bernal33}
141     \bibinfo{author}{\bibfnamefont{J.~D.} \bibnamefont{Bernal}} \bibnamefont{and}
142     \bibinfo{author}{\bibfnamefont{R.~H.} \bibnamefont{Fowler}},
143     \bibinfo{journal}{J. Chem. Phys.} \textbf{\bibinfo{volume}{1}},
144     \bibinfo{pages}{515} (\bibinfo{year}{1933}).
145    
146     \bibitem[{\citenamefont{Rahman and Stillinger}(1972)}]{Rahman72}
147     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Rahman}} \bibnamefont{and}
148     \bibinfo{author}{\bibfnamefont{F.~H.} \bibnamefont{Stillinger}},
149     \bibinfo{journal}{J. Chem. Phys.}
150     \textbf{\bibinfo{volume}{57}}(\bibinfo{number}{9}), \bibinfo{pages}{4009}
151     (\bibinfo{year}{1972}).
152    
153     \bibitem[{\citenamefont{Jorgensen and Jenson}(1998)}]{Jorgensen98b}
154     \bibinfo{author}{\bibfnamefont{W.~L.} \bibnamefont{Jorgensen}}
155     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{C.}~\bibnamefont{Jenson}},
156     \bibinfo{journal}{J. Comput. Chem.}
157     \textbf{\bibinfo{volume}{19}}(\bibinfo{number}{10}), \bibinfo{pages}{1179}
158     (\bibinfo{year}{1998}).
159    
160     \bibitem[{\citenamefont{B\'{a}ez and Clancy}(1994)}]{Clancy94}
161     \bibinfo{author}{\bibfnamefont{L.~A.} \bibnamefont{B\'{a}ez}} \bibnamefont{and}
162     \bibinfo{author}{\bibfnamefont{P.}~\bibnamefont{Clancy}},
163     \bibinfo{journal}{J. Chem. Phys.}
164     \textbf{\bibinfo{volume}{101}}(\bibinfo{number}{11}), \bibinfo{pages}{9837}
165     (\bibinfo{year}{1994}).
166    
167     \bibitem[{\citenamefont{Weast}(1980)}]{CRC80}
168     \bibinfo{editor}{\bibfnamefont{R.~C.} \bibnamefont{Weast}}, ed.,
169     \emph{\bibinfo{title}{CRC Handbook of Chemistry and Physics}}
170     (\bibinfo{publisher}{CRC Press, Inc.}, \bibinfo{address}{Boca Raton, FL},
171     \bibinfo{year}{1980}), \bibinfo{edition}{60th} ed.
172    
173     \bibitem[{\citenamefont{Gillen et~al.}(1972)\citenamefont{Gillen, Douglas, and
174     Hoch}}]{Gillen72}
175 chrisfen 807 \bibinfo{author}{\bibfnamefont{K.~T.} \bibnamefont{Gillen}},
176     \bibinfo{author}{\bibfnamefont{D.~C.} \bibnamefont{Douglas}},
177     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.~J.~R.}
178     \bibnamefont{Hoch}}, \bibinfo{journal}{J. Chem. Phys.}
179 chrisfen 743 \textbf{\bibinfo{volume}{57}}, \bibinfo{pages}{5117} (\bibinfo{year}{1972}).
180    
181     \bibitem[{\citenamefont{Mills}(1973)}]{Mills73}
182     \bibinfo{author}{\bibfnamefont{R.}~\bibnamefont{Mills}}, \bibinfo{journal}{J.
183     Phys. Chem.} \textbf{\bibinfo{volume}{77}}(\bibinfo{number}{5}),
184     \bibinfo{pages}{685} (\bibinfo{year}{1973}).
185    
186     \bibitem[{\citenamefont{Hura et~al.}(2000)\citenamefont{Hura, Sorenson,
187     Glaeser, and Head-Gordon}}]{Head-Gordon00_1}
188     \bibinfo{author}{\bibfnamefont{G.}~\bibnamefont{Hura}},
189     \bibinfo{author}{\bibfnamefont{J.~M.} \bibnamefont{Sorenson}},
190     \bibinfo{author}{\bibfnamefont{R.~M.} \bibnamefont{Glaeser}},
191     \bibnamefont{and}
192     \bibinfo{author}{\bibfnamefont{T.}~\bibnamefont{Head-Gordon}},
193     \bibinfo{journal}{J. Chem. Phys.}
194     \textbf{\bibinfo{volume}{113}}(\bibinfo{number}{20}), \bibinfo{pages}{9140}
195     (\bibinfo{year}{2000}).
196    
197     \bibitem[{\citenamefont{Soper and Phillips}(1986)}]{Soper86}
198     \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}} \bibnamefont{and}
199     \bibinfo{author}{\bibfnamefont{M.~G.} \bibnamefont{Phillips}},
200     \bibinfo{journal}{Chem. Phys.}
201     \textbf{\bibinfo{volume}{107}}(\bibinfo{number}{1}), \bibinfo{pages}{47}
202     (\bibinfo{year}{1986}).
203    
204     \bibitem[{\citenamefont{Sprik}(1991)}]{Sprik91}
205     \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Sprik}}, \bibinfo{journal}{J.
206     Chem. Phys.} \textbf{\bibinfo{volume}{95}}(\bibinfo{number}{9}),
207     \bibinfo{pages}{6762} (\bibinfo{year}{1991}).
208    
209     \bibitem[{\citenamefont{Gubskaya and Kusalik}(2002)}]{Kusalik02}
210     \bibinfo{author}{\bibfnamefont{A.~V.} \bibnamefont{Gubskaya}} \bibnamefont{and}
211     \bibinfo{author}{\bibfnamefont{P.~G.} \bibnamefont{Kusalik}},
212     \bibinfo{journal}{J. Chem. Phys.}
213     \textbf{\bibinfo{volume}{117}}(\bibinfo{number}{11}), \bibinfo{pages}{5290}
214     (\bibinfo{year}{2002}).
215    
216     \bibitem[{\citenamefont{Badyal et~al.}(2000)\citenamefont{Badyal, Saboungi,
217     Price, Shastri, Haeffner, and Soper}}]{Badyal00}
218     \bibinfo{author}{\bibfnamefont{Y.~S.} \bibnamefont{Badyal}},
219     \bibinfo{author}{\bibfnamefont{M.~L.} \bibnamefont{Saboungi}},
220     \bibinfo{author}{\bibfnamefont{D.~L.} \bibnamefont{Price}},
221     \bibinfo{author}{\bibfnamefont{S.~D.} \bibnamefont{Shastri}},
222     \bibinfo{author}{\bibfnamefont{D.~R.} \bibnamefont{Haeffner}},
223     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{A.~K.} \bibnamefont{Soper}},
224     \bibinfo{journal}{J. Chem. Phys.}
225     \textbf{\bibinfo{volume}{112}}(\bibinfo{number}{21}), \bibinfo{pages}{9206}
226     (\bibinfo{year}{2000}).
227    
228     \bibitem[{\citenamefont{Barriol and Weisbecker}(1964)}]{Barriol64}
229     \bibinfo{author}{\bibfnamefont{J.}~\bibnamefont{Barriol}} \bibnamefont{and}
230     \bibinfo{author}{\bibfnamefont{A.}~\bibnamefont{Weisbecker}},
231     \bibinfo{journal}{Compt. Rend. Acad. Sc. Paris}
232     \textbf{\bibinfo{volume}{259}}, \bibinfo{pages}{4643} (\bibinfo{year}{1964}).
233    
234     \bibitem[{\citenamefont{Brooks et~al.}(1983)\citenamefont{Brooks, Bruccoleri,
235     Olafson, States, Swaminathan, and Karplus}}]{Karplus83}
236     \bibinfo{author}{\bibfnamefont{B.~R.} \bibnamefont{Brooks}},
237     \bibinfo{author}{\bibfnamefont{R.~E.} \bibnamefont{Bruccoleri}},
238     \bibinfo{author}{\bibfnamefont{B.~D.} \bibnamefont{Olafson}},
239     \bibinfo{author}{\bibfnamefont{D.~J.} \bibnamefont{States}},
240     \bibinfo{author}{\bibfnamefont{S.}~\bibnamefont{Swaminathan}},
241     \bibnamefont{and} \bibinfo{author}{\bibfnamefont{M.}~\bibnamefont{Karplus}},
242     \bibinfo{journal}{J. Comput. Chem.}
243     \textbf{\bibinfo{volume}{4}}(\bibinfo{number}{2}), \bibinfo{pages}{187}
244     (\bibinfo{year}{1983}).
245    
246     \end{thebibliography}