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Revision 2637 by chrisfen, Sun Mar 19 02:48:19 2006 UTC

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2   %% http://bibdesk.sourceforge.net/
3  
4  
5 < %% Created for Chris Fennell at 2006-03-15 21:43:19 -0500
5 > %% Created for Chris Fennell at 2006-03-18 21:00:37 -0500
6  
7  
8   %% Saved with string encoding Western (ASCII)
# Line 43 | Line 43
43   @STRING{prl = "Phys. Rev. Lett."}
44  
45   @STRING{rmp = "Rev. Mod. Phys."}
46 +
47 +
48 + @article{Luty96,
49 +        Author = {B.~A. Luty and W.~F. {van~Gunsteren}},
50 +        Date-Added = {2006-03-18 20:59:19 -0500},
51 +        Date-Modified = {2006-03-18 21:00:33 -0500},
52 +        Journal = {J. Phys. Chem.},
53 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_PPPMElectrostaticCalculations_96.pdf},
54 +        Number = {7},
55 +        Pages = {2581-2587},
56 +        Title = {Calculating Electrostatic Interactions Using the Particle-Particle Particle-Mesh Method with Nonperiodic Long-Range Interactions},
57 +        Volume = {100},
58 +        Year = {1996}}
59 +
60 + @article{Rhee89,
61 +        Author = {Y.-J. Rhee and J.~W. Halley and J. Hautman and A. Rahman},
62 +        Date-Added = {2006-03-18 20:48:07 -0500},
63 +        Date-Modified = {2006-03-18 20:51:09 -0500},
64 +        Journal = {Phys. Rev. B},
65 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Rhee_finiteDimensionEwald_88.pdf},
66 +        Number = {1},
67 +        Pages = {36-42},
68 +        Title = {Ewald methods in molecular dynamics for systems of finite extent in one of three dimensions},
69 +        Volume = {40},
70 +        Year = {1989}}
71 +
72 + @article{Hunenberger99a,
73 +        Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
74 +        Date-Added = {2006-03-18 20:14:24 -0500},
75 +        Date-Modified = {2006-03-18 20:16:01 -0500},
76 +        Journal = {J. Chem. Phys.},
77 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Hunenberger_IonSolutionEwaldArtifacts_99.pdf},
78 +        Number = {4},
79 +        Pages = {1856-1872},
80 +        Title = {Ewald artifacts in computer simulations of ionic solvation and ion -- ion interaction: A continuum electrostatics study},
81 +        Volume = {110},
82 +        Year = {1999}}
83 +
84 + @article{Roberts95,
85 +        Author = {J.~E. Roberts and J. Schnitker},
86 +        Date-Added = {2006-03-18 20:12:23 -0500},
87 +        Date-Modified = {2006-03-18 20:13:36 -0500},
88 +        Journal = {J. Phys. Chem.},
89 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_BoundryConditionsIonWater_95.pdf},
90 +        Pages = {1322-1331},
91 +        Title = {Boundary Conditions in Sumulations of Aqueous Ionic Solutions: A Systematic Study},
92 +        Volume = {99},
93 +        Year = {1995}}
94 +
95 + @article{Roberts94,
96 +        Author = {J.~E. Roberts and J. Schnitker},
97 +        Date-Added = {2006-03-18 20:10:37 -0500},
98 +        Date-Modified = {2006-03-18 20:12:19 -0500},
99 +        Journal = {J. Chem. Phys.},
100 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_IonSolventEwaldProbs_94.pdf},
101 +        Number = {6},
102 +        Pages = {5024-5031},
103 +        Title = {How the unit cell surface charge distriubution affects the energetics of ion-solvent interactions in simulations},
104 +        Volume = {101},
105 +        Year = {1994}}
106 +
107 + @article{Yeh99,
108 +        Author = {I.-C. Yeh and M.~L. Berkowitz},
109 +        Date-Added = {2006-03-18 19:24:27 -0500},
110 +        Date-Modified = {2006-03-18 19:26:08 -0500},
111 +        Journal = {J. Chem. Phys.},
112 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Yeh_SlabCorrectionEwald_99.pdf},
113 +        Number = {7},
114 +        Pages = {3155-3162},
115 +        Title = {Ewald summation for systems with slab geometry},
116 +        Volume = {111},
117 +        Year = {1999}}
118 +
119 + @article{Parry76,
120 +        Author = {D.~E. Parry},
121 +        Date-Added = {2006-03-18 19:11:01 -0500},
122 +        Date-Modified = {2006-03-18 19:14:01 -0500},
123 +        Journal = {Surf. Sci.},
124 +        Pages = {195},
125 +        Title = {Errata: The electrostatic potential in the surface region of an ionic crystal},
126 +        Volume = {54},
127 +        Year = {1976}}
128 +
129 + @article{Parry75,
130 +        Author = {D.~E. Parry},
131 +        Date-Added = {2006-03-18 19:08:40 -0500},
132 +        Date-Modified = {2006-03-18 19:16:14 -0500},
133 +        Journal = {Surf. Sci.},
134 +        Pages = {433-440},
135 +        Title = {The electrostatic potential in the surface region of an ionic crystal},
136 +        Volume = {49},
137 +        Year = {1975}}
138 +
139 + @article{deLeeuw79,
140 +        Author = {S.~W. {de Leeuw} and J.~W. Perram},
141 +        Date-Added = {2006-03-18 19:05:18 -0500},
142 +        Date-Modified = {2006-03-18 19:07:48 -0500},
143 +        Journal = {Mol. Phys.},
144 +        Pages = {1313-1327},
145 +        Title = {Electrostatic Lattice Sums for Semi-Infinite Lattices},
146 +        Volume = {37},
147 +        Year = {1979}}
148 +
149 + @article{Heyes77,
150 +        Author = {D.~M. Heyes and M. Barber and J.~H.~R. Clarke},
151 +        Date-Added = {2006-03-18 19:02:16 -0500},
152 +        Date-Modified = {2006-03-18 19:04:48 -0500},
153 +        Journal = {J. Chem. Soc., Faraday Trans. II},
154 +        Number = {7},
155 +        Pages = {1485-1496},
156 +        Title = {Molecular dynamics computer simulation of surface properties of crystalline potassium chloride},
157 +        Volume = {73},
158 +        Year = {1977}}
159 +
160 + @article{Spohr97,
161 +        Author = {E. Spohr},
162 +        Date-Added = {2006-03-18 18:51:02 -0500},
163 +        Date-Modified = {2006-03-18 18:52:21 -0500},
164 +        Journal = {J. Chem. Phys.},
165 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Spohr_2DElectrostatics_97.pdf},
166 +        Number = {16},
167 +        Pages = {6342-6348},
168 +        Title = {Effect of electrostatic boundary conditions and system size on the interfacial properties of water and aqueous solutions},
169 +        Volume = {107},
170 +        Year = {1997}}
171 +
172 + @article{York94,
173 +        Author = {D. York and W. Yang},
174 +        Date-Added = {2006-03-18 11:52:58 -0500},
175 +        Date-Modified = {2006-03-18 11:54:19 -0500},
176 +        Journal = {J. Chem. Phys.},
177 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/York_FFPoissonEwald_94.pdf},
178 +        Number = {4},
179 +        Pages = {3298-3300},
180 +        Title = {The fast Fourier Poisson method for calculating Ewald sums},
181 +        Volume = {101},
182 +        Year = {1994}}
183 +
184 + @article{Shimada93,
185 +        Author = {J. Shimada and H. Kaneko and T. Takada},
186 +        Date-Added = {2006-03-18 11:10:38 -0500},
187 +        Date-Modified = {2006-03-18 11:12:10 -0500},
188 +        Journal = {J. Comp. Chem.},
189 +        Pages = {867-78},
190 +        Title = {Efficient calculations of Coulombic interactions in biomolecular simulations with periodic boundary conditions},
191 +        Volume = {14},
192 +        Year = {1993}}
193  
194 + @article{Luty94,
195 +        Author = {B.~A. Luty and M.~E. Davis and I.~G. Tironi and W.~F. {van~Gunsteren}},
196 +        Date-Added = {2006-03-18 10:37:17 -0500},
197 +        Date-Modified = {2006-03-18 11:09:55 -0500},
198 +        Journal = {Mol. Simul.},
199 +        Pages = {11-20},
200 +        Title = {A comparison of particle-particle particle-mesh and Ewald methods for calculating electrostatic interactions in periodic systems},
201 +        Volume = {14},
202 +        Year = {1994}}
203  
204 + @book{Hockney81,
205 +        Address = {New York},
206 +        Author = {R.~W. Hockney and J.~W. Eastwood},
207 +        Date-Added = {2006-03-18 10:33:19 -0500},
208 +        Date-Modified = {2006-03-18 10:35:04 -0500},
209 +        Publisher = {McGraw-Hill},
210 +        Title = {Computer Simulation Using Particles},
211 +        Year = {1981}}
212 +
213 + @article{Sagui99,
214 +        Author = {C. Sagui and T.~A. Darden},
215 +        Date-Added = {2006-03-17 18:27:01 -0500},
216 +        Date-Modified = {2006-03-17 18:29:36 -0500},
217 +        Journal = {Annu. Rev. Biophys. Biomol. Struct.},
218 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Darden_electrostaticInBiomolecules_99.pdf},
219 +        Pages = {155-179},
220 +        Title = {Molecular Dynamics Simulations of Biomolecules: Long-Range Electrostatic Effects},
221 +        Volume = {28},
222 +        Year = {1999}}
223 +
224 + @article{Perram88,
225 +        Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}},
226 +        Date-Added = {2006-03-17 13:42:04 -0500},
227 +        Date-Modified = {2006-03-17 13:59:01 -0500},
228 +        Journal = {Mol. Phys.},
229 +        Pages = {875-893},
230 +        Title = {An algorithm for the simulation of condensed matter that grows as the 3/2 power of the number of particles},
231 +        Volume = {65},
232 +        Year = {1988}}
233 +
234 + @article{Woodcock71,
235 +        Author = {L.~V. Woodcock and K. Singer},
236 +        Date-Added = {2006-03-17 11:14:17 -0500},
237 +        Date-Modified = {2006-03-17 11:16:52 -0500},
238 +        Journal = {Trans. Faraday Soc.},
239 +        Pages = {12-30},
240 +        Title = {Thermodynamic and Structural Properties of Liquid Ionic Salts Obtained by Monte Carlo Computation},
241 +        Volume = {67},
242 +        Year = {1971}}
243 +
244 + @article{Smith81,
245 +        Author = {E.~R. Smith},
246 +        Date-Added = {2006-03-16 13:47:17 -0500},
247 +        Date-Modified = {2006-03-16 13:48:34 -0500},
248 +        Journal = {Proc. R. Soc. London Ser. A},
249 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Smith_ElectrostaticEnergyInIonicCrystals_81.pdf},
250 +        Pages = {475-505},
251 +        Title = {Electrostatic Energy in Ionic Crystals},
252 +        Volume = {375},
253 +        Year = {1981}}
254 +
255 + @article{Weber00,
256 +        Author = {W. Weber and P.~H. H\"{u}nenberger and J.~A. McCammon},
257 +        Date-Added = {2006-03-16 09:49:22 -0500},
258 +        Date-Modified = {2006-03-16 09:51:17 -0500},
259 +        Doi = {10.1021/jp9937757},
260 +        Journal = {J. Phys. Chem. B},
261 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicityMD_00.pdf},
262 +        Number = {15},
263 +        Pages = {3668-3675},
264 +        Title = {Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation},
265 +        Volume = {104},
266 +        Year = {2000}}
267 +
268 + @article{Hunenberger99b,
269 +        Author = {P.~H. H\"{u}nenberger and J.~A. McCammon},
270 +        Date-Added = {2006-03-16 09:45:10 -0500},
271 +        Date-Modified = {2006-03-18 20:16:16 -0500},
272 +        Journal = {Biophys. Chem.},
273 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicity_99.pdf},
274 +        Pages = {69-88},
275 +        Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study},
276 +        Volume = {78},
277 +        Year = {1999}}
278 +
279 + @article{Petersen95,
280 +        Author = {H.~G. Petersen},
281 +        Date-Added = {2006-03-16 08:43:02 -0500},
282 +        Date-Modified = {2006-03-16 08:44:32 -0500},
283 +        Journal = {J. Chem. Phys.},
284 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Petersen_AccuracyofPME_95.pdf},
285 +        Month = {September},
286 +        Number = {9},
287 +        Pages = {3668-3679},
288 +        Title = {Accuracy and efficiency of the particle mesh Ewald method},
289 +        Volume = {103},
290 +        Year = {1995}}
291 +
292 + @article{Luty95,
293 +        Author = {B.~A. Luty and I.~G. Tironi and W.~F. {van~Gunsteren}},
294 +        Date-Added = {2006-03-16 08:39:13 -0500},
295 +        Date-Modified = {2006-03-16 08:41:15 -0500},
296 +        Journal = {J. Chem. Phys.},
297 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_LatticeSumElectrostatics_95.pdf},
298 +        Number = {8},
299 +        Pages = {3014-3021},
300 +        Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations},
301 +        Volume = {103},
302 +        Year = {1995}}
303 +
304   @article{Barker73,
305          Author = {J.~A. Barker and R.~O. Watts },
306          Date-Added = {2006-03-15 18:58:17 -0500},
307 <        Date-Modified = {2006-03-15 21:17:31 -0500},
307 >        Date-Modified = {2006-03-18 11:36:56 -0500},
308          Journal = {Mol. Phys.},
309 <        Pages = {789=792},
309 >        Pages = {789-792},
310          Title = {Monte Carlo studies of the dielectric properties of water-like models},
311          Volume = {26},
312          Year = {1973}}
# Line 107 | Line 363
363   @article{Ewald21,
364          Author = {P.~P. Ewald},
365          Date-Added = {2006-03-13 13:32:04 -0500},
366 <        Date-Modified = {2006-03-13 13:32:55 -0500},
366 >        Date-Modified = {2006-03-16 22:39:27 -0500},
367          Journal = {Ann. Physik},
368 <        Pages = {253},
368 >        Pages = {253-287},
369 >        Title = {Die Berechnung optischer und elektrostatischer Gitterpotential},
370          Volume = {64},
371          Year = {1921}}
372  
# Line 1549 | Line 1806
1806  
1807   @article{Darden93,
1808          Author = {T. Darden and D. York and L. Pedersen},
1809 <        Date-Modified = {2006-02-15 10:09:52 -0500},
1809 >        Date-Modified = {2006-03-16 08:37:25 -0500},
1810          Journal = {Journal of Chemical Physics},
1811 +        Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Darden_ParticleMeshEwald_93.pdf},
1812          Number = 12,
1813          Pages = {10089-10092},
1814          Title = {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems},
# Line 1958 | Line 2216
2216  
2217   @article{Marrink03,
2218          Author = {S.~J. Marrink and A.~E. Mark},
2219 <        Date-Modified = {2006-02-15 10:28:41 -0500},
2219 >        Date-Modified = {2006-03-16 09:54:52 -0500},
2220          Journal = {J. Am. Chem. Soc.},
2221          Pages = {15233-15242},
2222 <        Title = {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
2222 >        Title = {Molecular Dynamics Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles},
2223          Volume = 125,
2224          Year = 2003}
2225  

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