| 2 |
|
%% http://bibdesk.sourceforge.net/ |
| 3 |
|
|
| 4 |
|
|
| 5 |
< |
%% Created for Chris Fennell at 2006-02-18 16:51:35 -0500 |
| 5 |
> |
%% Created for Chris Fennell at 2006-03-17 18:29:44 -0500 |
| 6 |
|
|
| 7 |
|
|
| 8 |
|
%% Saved with string encoding Western (ASCII) |
| 45 |
|
@STRING{rmp = "Rev. Mod. Phys."} |
| 46 |
|
|
| 47 |
|
|
| 48 |
+ |
@article{Sagui99, |
| 49 |
+ |
Author = {C. Sagui and T.~A. Darden}, |
| 50 |
+ |
Date-Added = {2006-03-17 18:27:01 -0500}, |
| 51 |
+ |
Date-Modified = {2006-03-17 18:29:36 -0500}, |
| 52 |
+ |
Journal = {Annu. Rev. Biophys. Biomol. Struct.}, |
| 53 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Darden_electrostaticInBiomolecules_99.pdf}, |
| 54 |
+ |
Pages = {155-179}, |
| 55 |
+ |
Title = {Molecular Dynamics Simulations of Biomolecules: Long-Range Electrostatic Effects}, |
| 56 |
+ |
Volume = {28}, |
| 57 |
+ |
Year = {1999}} |
| 58 |
+ |
|
| 59 |
+ |
@article{Perram88, |
| 60 |
+ |
Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}}, |
| 61 |
+ |
Date-Added = {2006-03-17 13:42:04 -0500}, |
| 62 |
+ |
Date-Modified = {2006-03-17 13:59:01 -0500}, |
| 63 |
+ |
Journal = {Mol. Phys.}, |
| 64 |
+ |
Pages = {875-893}, |
| 65 |
+ |
Title = {An algorithm for the simulation of condensed matter that grows as the 3/2 power of the number of particles}, |
| 66 |
+ |
Volume = {65}, |
| 67 |
+ |
Year = {1988}} |
| 68 |
+ |
|
| 69 |
+ |
@article{Woodcock71, |
| 70 |
+ |
Author = {L.~V. Woodcock and K. Singer}, |
| 71 |
+ |
Date-Added = {2006-03-17 11:14:17 -0500}, |
| 72 |
+ |
Date-Modified = {2006-03-17 11:16:52 -0500}, |
| 73 |
+ |
Journal = {Trans. Faraday Soc.}, |
| 74 |
+ |
Pages = {12-30}, |
| 75 |
+ |
Title = {Thermodynamic and Structural Properties of Liquid Ionic Salts Obtained by Monte Carlo Computation}, |
| 76 |
+ |
Volume = {67}, |
| 77 |
+ |
Year = {1971}} |
| 78 |
+ |
|
| 79 |
+ |
@article{Smith81, |
| 80 |
+ |
Author = {E.~R. Smith}, |
| 81 |
+ |
Date-Added = {2006-03-16 13:47:17 -0500}, |
| 82 |
+ |
Date-Modified = {2006-03-16 13:48:34 -0500}, |
| 83 |
+ |
Journal = {Proc. R. Soc. London Ser. A}, |
| 84 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Smith_ElectrostaticEnergyInIonicCrystals_81.pdf}, |
| 85 |
+ |
Pages = {475-505}, |
| 86 |
+ |
Title = {Electrostatic Energy in Ionic Crystals}, |
| 87 |
+ |
Volume = {375}, |
| 88 |
+ |
Year = {1981}} |
| 89 |
+ |
|
| 90 |
+ |
@article{Weber00, |
| 91 |
+ |
Author = {W. Weber and P.~H. H\"{u}nenberger and J.~A. McCammon}, |
| 92 |
+ |
Date-Added = {2006-03-16 09:49:22 -0500}, |
| 93 |
+ |
Date-Modified = {2006-03-16 09:51:17 -0500}, |
| 94 |
+ |
Doi = {10.1021/jp9937757}, |
| 95 |
+ |
Journal = {J. Phys. Chem. B}, |
| 96 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicityMD_00.pdf}, |
| 97 |
+ |
Number = {15}, |
| 98 |
+ |
Pages = {3668-3675}, |
| 99 |
+ |
Title = {Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation}, |
| 100 |
+ |
Volume = {104}, |
| 101 |
+ |
Year = {2000}} |
| 102 |
+ |
|
| 103 |
+ |
@article{Hunenberger99, |
| 104 |
+ |
Author = {P.~H. H\"{u}nenberger and J.~A. McCammon}, |
| 105 |
+ |
Date-Added = {2006-03-16 09:45:10 -0500}, |
| 106 |
+ |
Date-Modified = {2006-03-16 09:49:15 -0500}, |
| 107 |
+ |
Journal = {Biophys. Chem.}, |
| 108 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicity_99.pdf}, |
| 109 |
+ |
Pages = {69-88}, |
| 110 |
+ |
Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study}, |
| 111 |
+ |
Volume = {78}, |
| 112 |
+ |
Year = {1999}} |
| 113 |
+ |
|
| 114 |
+ |
@article{Petersen95, |
| 115 |
+ |
Author = {H.~G. Petersen}, |
| 116 |
+ |
Date-Added = {2006-03-16 08:43:02 -0500}, |
| 117 |
+ |
Date-Modified = {2006-03-16 08:44:32 -0500}, |
| 118 |
+ |
Journal = {J. Chem. Phys.}, |
| 119 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Petersen_AccuracyofPME_95.pdf}, |
| 120 |
+ |
Month = {September}, |
| 121 |
+ |
Number = {9}, |
| 122 |
+ |
Pages = {3668-3679}, |
| 123 |
+ |
Title = {Accuracy and efficiency of the particle mesh Ewald method}, |
| 124 |
+ |
Volume = {103}, |
| 125 |
+ |
Year = {1995}} |
| 126 |
+ |
|
| 127 |
+ |
@article{Luty95, |
| 128 |
+ |
Author = {B.~A. Luty and I.~G. Tironi and W.~F. {van~Gunsteren}}, |
| 129 |
+ |
Date-Added = {2006-03-16 08:39:13 -0500}, |
| 130 |
+ |
Date-Modified = {2006-03-16 08:41:15 -0500}, |
| 131 |
+ |
Journal = {J. Chem. Phys.}, |
| 132 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_LatticeSumElectrostatics_95.pdf}, |
| 133 |
+ |
Number = {8}, |
| 134 |
+ |
Pages = {3014-3021}, |
| 135 |
+ |
Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations}, |
| 136 |
+ |
Volume = {103}, |
| 137 |
+ |
Year = {1995}} |
| 138 |
+ |
|
| 139 |
+ |
@article{Barker73, |
| 140 |
+ |
Author = {J.~A. Barker and R.~O. Watts }, |
| 141 |
+ |
Date-Added = {2006-03-15 18:58:17 -0500}, |
| 142 |
+ |
Date-Modified = {2006-03-15 21:17:31 -0500}, |
| 143 |
+ |
Journal = {Mol. Phys.}, |
| 144 |
+ |
Pages = {789=792}, |
| 145 |
+ |
Title = {Monte Carlo studies of the dielectric properties of water-like models}, |
| 146 |
+ |
Volume = {26}, |
| 147 |
+ |
Year = {1973}} |
| 148 |
+ |
|
| 149 |
+ |
@article{Adams79, |
| 150 |
+ |
Author = {D.~J. Adams and E.~M. Adams and G.~J. Hills}, |
| 151 |
+ |
Date-Added = {2006-03-15 17:46:36 -0500}, |
| 152 |
+ |
Date-Modified = {2006-03-15 17:48:04 -0500}, |
| 153 |
+ |
Journal = {Mol. Phys.}, |
| 154 |
+ |
Number = {2}, |
| 155 |
+ |
Pages = {387-400}, |
| 156 |
+ |
Title = {The computer simulation of polar liquids}, |
| 157 |
+ |
Volume = {38}, |
| 158 |
+ |
Year = {1979}} |
| 159 |
+ |
|
| 160 |
+ |
@article{Rahman71, |
| 161 |
+ |
Author = {A. Rahman and F.~H. Stillinger}, |
| 162 |
+ |
Date-Added = {2006-03-15 17:04:53 -0500}, |
| 163 |
+ |
Date-Modified = {2006-03-15 17:07:29 -0500}, |
| 164 |
+ |
Journal = {J. Chem. Phys.}, |
| 165 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Rahman_MDWater_71.pdf}, |
| 166 |
+ |
Month = {October}, |
| 167 |
+ |
Number = {7}, |
| 168 |
+ |
Pages = {3336-3359}, |
| 169 |
+ |
Title = {Molecular Dynamics Study of Liquid Water}, |
| 170 |
+ |
Volume = {55}, |
| 171 |
+ |
Year = {1971}} |
| 172 |
+ |
|
| 173 |
+ |
@article{Andrea83, |
| 174 |
+ |
Author = {T.~A. Andrea and W.~C. Swope and H.~C. Andersen}, |
| 175 |
+ |
Date-Added = {2006-03-15 15:16:12 -0500}, |
| 176 |
+ |
Date-Modified = {2006-03-15 15:18:10 -0500}, |
| 177 |
+ |
Journal = {J. Chem. Phys.}, |
| 178 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Andrea_LongRangeForcesInWater_83.pdf}, |
| 179 |
+ |
Number = {9}, |
| 180 |
+ |
Pages = {4576-4584}, |
| 181 |
+ |
Title = {The role of long ranged forces in determining the structure and properties of liquid water}, |
| 182 |
+ |
Volume = {79}, |
| 183 |
+ |
Year = {1983}} |
| 184 |
+ |
|
| 185 |
+ |
@article{Brush66, |
| 186 |
+ |
Author = {S.~G. Brush and H.~L. Sahlin and E. Teller}, |
| 187 |
+ |
Date-Added = {2006-03-13 16:55:39 -0500}, |
| 188 |
+ |
Date-Modified = {2006-03-13 17:01:15 -0500}, |
| 189 |
+ |
Journal = {J. Chem. Phys.}, |
| 190 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Brush_MCEwaldApplication_66.pdf}, |
| 191 |
+ |
Month = {September}, |
| 192 |
+ |
Number = {6}, |
| 193 |
+ |
Pages = {2102-2118}, |
| 194 |
+ |
Title = {Monte Carlo Study of a One-Component Plasma. I}, |
| 195 |
+ |
Volume = {45}, |
| 196 |
+ |
Year = {1966}} |
| 197 |
+ |
|
| 198 |
+ |
@article{Ewald21, |
| 199 |
+ |
Author = {P.~P. Ewald}, |
| 200 |
+ |
Date-Added = {2006-03-13 13:32:04 -0500}, |
| 201 |
+ |
Date-Modified = {2006-03-16 22:39:27 -0500}, |
| 202 |
+ |
Journal = {Ann. Physik}, |
| 203 |
+ |
Pages = {253-287}, |
| 204 |
+ |
Title = {Die Berechnung optischer und elektrostatischer Gitterpotential}, |
| 205 |
+ |
Volume = {64}, |
| 206 |
+ |
Year = {1921}} |
| 207 |
+ |
|
| 208 |
+ |
@article{Jones56, |
| 209 |
+ |
Author = {R.~E. Jones and D.~H. Templeton}, |
| 210 |
+ |
Date-Added = {2006-03-13 13:25:58 -0500}, |
| 211 |
+ |
Date-Modified = {2006-03-13 13:27:15 -0500}, |
| 212 |
+ |
Journal = {J. Chem. Phys.}, |
| 213 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Jones_ChargeShapeFunctions_56.pdf}, |
| 214 |
+ |
Number = {5}, |
| 215 |
+ |
Pages = {1062-1063}, |
| 216 |
+ |
Title = {Optimum Atomic Shape for Bertaut Series}, |
| 217 |
+ |
Volume = {25}, |
| 218 |
+ |
Year = {1956}} |
| 219 |
+ |
|
| 220 |
+ |
@article{Heyes81, |
| 221 |
+ |
Author = {D.~M. Heyes}, |
| 222 |
+ |
Date-Added = {2006-03-13 13:12:45 -0500}, |
| 223 |
+ |
Date-Modified = {2006-03-13 13:14:27 -0500}, |
| 224 |
+ |
Journal = {J. Chem. Phys.}, |
| 225 |
+ |
Keywords = {Empty Keywords}, |
| 226 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Heyes_CoulombChargeSpreading_81.pdf}, |
| 227 |
+ |
Number = {3}, |
| 228 |
+ |
Pages = {1924-1929}, |
| 229 |
+ |
Title = {Electrostatic potentials and fields in infinite point charge lattices}, |
| 230 |
+ |
Volume = {74}, |
| 231 |
+ |
Year = {1981}} |
| 232 |
+ |
|
| 233 |
+ |
@article{Steinbach94, |
| 234 |
+ |
Author = {P.~J. Steinbach and B.~R. Brooks}, |
| 235 |
+ |
Date-Added = {2006-03-12 19:26:45 -0500}, |
| 236 |
+ |
Date-Modified = {2006-03-12 19:29:43 -0500}, |
| 237 |
+ |
Doi = {10.1002/jcc.540150702}, |
| 238 |
+ |
Journal = {J. Comput. Chem.}, |
| 239 |
+ |
Number = {7}, |
| 240 |
+ |
Pages = {667-683}, |
| 241 |
+ |
Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation}, |
| 242 |
+ |
Volume = {15}, |
| 243 |
+ |
Year = {1994}} |
| 244 |
+ |
|
| 245 |
+ |
@article{deLeeuw80, |
| 246 |
+ |
Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith}, |
| 247 |
+ |
Date-Added = {2006-03-07 10:26:31 -0500}, |
| 248 |
+ |
Date-Modified = {2006-03-07 10:30:11 -0500}, |
| 249 |
+ |
Journal = {Proc. R. Soc. London Ser. A}, |
| 250 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/deLeeuw_EwaldSum_80.pdf}, |
| 251 |
+ |
Number = {1752}, |
| 252 |
+ |
Pages = {27-56}, |
| 253 |
+ |
Title = {Simulation of Electostatic Systems in Periodic Boundary Conditions. I. Lattice Sums and Dielectric Constants}, |
| 254 |
+ |
Volume = {373}, |
| 255 |
+ |
Year = {1980}} |
| 256 |
+ |
|
| 257 |
+ |
@article{Essmann95, |
| 258 |
+ |
Author = {U. Essmann and L. Perera and M.~L. Berkowitz and T. Darden and H. Lee and L.~G. Pedersen}, |
| 259 |
+ |
Date-Added = {2006-03-05 12:25:25 -0500}, |
| 260 |
+ |
Date-Modified = {2006-03-05 12:29:07 -0500}, |
| 261 |
+ |
Journal = {J. Chem. Phys.}, |
| 262 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Essmann_SmoothPME_95.pdf}, |
| 263 |
+ |
Number = {19}, |
| 264 |
+ |
Pages = {8577-8593}, |
| 265 |
+ |
Title = {A smooth particle mesh Ewald method}, |
| 266 |
+ |
Volume = {103}, |
| 267 |
+ |
Year = {1995}} |
| 268 |
+ |
|
| 269 |
|
@article{Kast03, |
| 270 |
|
Author = {S.~M. Kast and K.~F. Schmidt and B. Schilling}, |
| 271 |
|
Date-Added = {2006-02-18 16:47:26 -0500}, |
| 1641 |
|
|
| 1642 |
|
@article{Darden93, |
| 1643 |
|
Author = {T. Darden and D. York and L. Pedersen}, |
| 1644 |
< |
Date-Modified = {2006-02-15 10:09:52 -0500}, |
| 1644 |
> |
Date-Modified = {2006-03-16 08:37:25 -0500}, |
| 1645 |
|
Journal = {Journal of Chemical Physics}, |
| 1646 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Darden_ParticleMeshEwald_93.pdf}, |
| 1647 |
|
Number = 12, |
| 1648 |
|
Pages = {10089-10092}, |
| 1649 |
|
Title = {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems}, |
| 1680 |
|
|
| 1681 |
|
@article{Metropolis53, |
| 1682 |
|
Author = {N. Metropolis and A.~W. Rosenbluth and M.~N. Rosenbluth and A.~H. Teller and E. Teller}, |
| 1683 |
< |
Date-Modified = {2006-02-15 10:29:14 -0500}, |
| 1683 |
> |
Date-Modified = {2006-03-09 10:44:24 -0500}, |
| 1684 |
|
Journal = {J. Chem. Phys.}, |
| 1685 |
+ |
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Metropolis_MCCalculations_53.pdf}, |
| 1686 |
|
Pages = {1087-1092}, |
| 1687 |
|
Title = {Equation of State Calculations by Fast Computing Machines}, |
| 1688 |
|
Volume = 21, |
| 2051 |
|
|
| 2052 |
|
@article{Marrink03, |
| 2053 |
|
Author = {S.~J. Marrink and A.~E. Mark}, |
| 2054 |
< |
Date-Modified = {2006-02-15 10:28:41 -0500}, |
| 2054 |
> |
Date-Modified = {2006-03-16 09:54:52 -0500}, |
| 2055 |
|
Journal = {J. Am. Chem. Soc.}, |
| 2056 |
|
Pages = {15233-15242}, |
| 2057 |
< |
Title = {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles}, |
| 2057 |
> |
Title = {Molecular Dynamics Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles}, |
| 2058 |
|
Volume = 125, |
| 2059 |
|
Year = 2003} |
| 2060 |
|
|
| 2200 |
|
Year = 2000} |
| 2201 |
|
|
| 2202 |
|
@article{Meineke05, |
| 2203 |
< |
Author = {M.~A. Meineke and C.~F. Vardeman~II and T. Lin and C.~J. Fennell and J.~D. Gezelter}, |
| 2204 |
< |
Date-Modified = {2006-02-15 09:09:23 -0500}, |
| 2203 |
> |
Author = {M.~A. Meineke and C.~F. {Vardeman II} and T. Lin and C.~J. Fennell and J.~D. Gezelter}, |
| 2204 |
> |
Date-Modified = {2006-03-05 12:37:31 -0500}, |
| 2205 |
|
Journal = {J. Comp. Chem.}, |
| 2206 |
|
Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/MyPapers/Meineke_OOPSE_05.pdf}, |
| 2207 |
|
Pages = {252-271}, |
| 2367 |
|
Year = 1975} |
| 2368 |
|
|
| 2369 |
|
@article{Spoel98, |
| 2370 |
< |
Author = {D. van der Spoel and P.~J. van Maaren and H.~J.~C. Berendsen}, |
| 2371 |
< |
Date-Modified = {2006-02-15 10:33:13 -0500}, |
| 2370 |
> |
Author = {D. {van der Spoel} and P.~J. {van Maaren} and H.~J.~C. Berendsen}, |
| 2371 |
> |
Date-Modified = {2006-03-05 12:38:54 -0500}, |
| 2372 |
|
Journal = jcp, |
| 2373 |
|
Number = 24, |
| 2374 |
|
Pages = {10220-10230}, |