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@STRING{prl = "Phys. Rev. Lett."} |
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@STRING{rmp = "Rev. Mod. Phys."} |
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@article{Sagui99, |
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Author = {C. Sagui and T.~A. Darden}, |
| 50 |
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Date-Added = {2006-03-17 18:27:01 -0500}, |
| 51 |
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Date-Modified = {2006-03-17 18:29:36 -0500}, |
| 52 |
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Journal = {Annu. Rev. Biophys. Biomol. Struct.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Darden_electrostaticInBiomolecules_99.pdf}, |
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Pages = {155-179}, |
| 55 |
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Title = {Molecular Dynamics Simulations of Biomolecules: Long-Range Electrostatic Effects}, |
| 56 |
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Volume = {28}, |
| 57 |
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Year = {1999}} |
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@article{Perram88, |
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Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}}, |
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Date-Added = {2006-03-17 13:42:04 -0500}, |
| 62 |
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Date-Modified = {2006-03-17 13:59:01 -0500}, |
| 63 |
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Journal = {Mol. Phys.}, |
| 64 |
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Pages = {875-893}, |
| 65 |
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Title = {An algorithm for the simulation of condensed matter that grows as the 3/2 power of the number of particles}, |
| 66 |
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Volume = {65}, |
| 67 |
+ |
Year = {1988}} |
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@article{Woodcock71, |
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Author = {L.~V. Woodcock and K. Singer}, |
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Date-Added = {2006-03-17 11:14:17 -0500}, |
| 72 |
+ |
Date-Modified = {2006-03-17 11:16:52 -0500}, |
| 73 |
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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 |
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Year = {1971}} |
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| 79 |
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@article{Smith81, |
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Author = {E.~R. Smith}, |
| 81 |
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Date-Added = {2006-03-16 13:47:17 -0500}, |
| 82 |
+ |
Date-Modified = {2006-03-16 13:48:34 -0500}, |
| 83 |
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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 |
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Title = {Electrostatic Energy in Ionic Crystals}, |
| 87 |
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Volume = {375}, |
| 88 |
+ |
Year = {1981}} |
| 89 |
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| 90 |
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@article{Weber00, |
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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 |
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Doi = {10.1021/jp9937757}, |
| 95 |
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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 |
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Volume = {104}, |
| 101 |
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Year = {2000}} |
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| 103 |
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@article{Hunenberger99, |
| 104 |
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Author = {P.~H. H\"{u}nenberger and J.~A. McCammon}, |
| 105 |
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Date-Added = {2006-03-16 09:45:10 -0500}, |
| 106 |
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Date-Modified = {2006-03-16 09:49:15 -0500}, |
| 107 |
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Journal = {Biophys. Chem.}, |
| 108 |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/McCammon_ArtificialEwaldPeriodicity_99.pdf}, |
| 109 |
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Pages = {69-88}, |
| 110 |
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Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study}, |
| 111 |
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Volume = {78}, |
| 112 |
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Year = {1999}} |
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@article{Petersen95, |
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Author = {H.~G. Petersen}, |
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Date-Added = {2006-03-16 08:43:02 -0500}, |
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Date-Modified = {2006-03-16 08:44:32 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Petersen_AccuracyofPME_95.pdf}, |
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Month = {September}, |
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Number = {9}, |
| 122 |
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Pages = {3668-3679}, |
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Title = {Accuracy and efficiency of the particle mesh Ewald method}, |
| 124 |
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Volume = {103}, |
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Year = {1995}} |
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@article{Luty95, |
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Author = {B.~A. Luty and I.~G. Tironi and W.~F. {van~Gunsteren}}, |
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Date-Added = {2006-03-16 08:39:13 -0500}, |
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Date-Modified = {2006-03-16 08:41:15 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Luty_LatticeSumElectrostatics_95.pdf}, |
| 133 |
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Number = {8}, |
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Pages = {3014-3021}, |
| 135 |
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Title = {Lattice-sum methods for calculating electrostatic interactions in molecular simulations}, |
| 136 |
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Volume = {103}, |
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Year = {1995}} |
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@article{Barker73, |
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Author = {J.~A. Barker and R.~O. Watts }, |
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Date-Added = {2006-03-15 18:58:17 -0500}, |
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Date-Modified = {2006-03-15 21:17:31 -0500}, |
| 143 |
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Journal = {Mol. Phys.}, |
| 144 |
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Pages = {789=792}, |
| 145 |
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Title = {Monte Carlo studies of the dielectric properties of water-like models}, |
| 146 |
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Volume = {26}, |
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Year = {1973}} |
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@article{Adams79, |
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Author = {D.~J. Adams and E.~M. Adams and G.~J. Hills}, |
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Date-Added = {2006-03-15 17:46:36 -0500}, |
| 152 |
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Date-Modified = {2006-03-15 17:48:04 -0500}, |
| 153 |
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Journal = {Mol. Phys.}, |
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Number = {2}, |
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Pages = {387-400}, |
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Title = {The computer simulation of polar liquids}, |
| 157 |
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Volume = {38}, |
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Year = {1979}} |
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@article{Rahman71, |
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Author = {A. Rahman and F.~H. Stillinger}, |
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Date-Added = {2006-03-15 17:04:53 -0500}, |
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Date-Modified = {2006-03-15 17:07:29 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Rahman_MDWater_71.pdf}, |
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Month = {October}, |
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Number = {7}, |
| 168 |
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Pages = {3336-3359}, |
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Title = {Molecular Dynamics Study of Liquid Water}, |
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Volume = {55}, |
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Year = {1971}} |
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@article{Andrea83, |
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Author = {T.~A. Andrea and W.~C. Swope and H.~C. Andersen}, |
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Date-Added = {2006-03-15 15:16:12 -0500}, |
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Date-Modified = {2006-03-15 15:18:10 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/WaterSimulation/Andrea_LongRangeForcesInWater_83.pdf}, |
| 179 |
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Number = {9}, |
| 180 |
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Pages = {4576-4584}, |
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Title = {The role of long ranged forces in determining the structure and properties of liquid water}, |
| 182 |
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Volume = {79}, |
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Year = {1983}} |
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@article{Brush66, |
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Author = {S.~G. Brush and H.~L. Sahlin and E. Teller}, |
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Date-Added = {2006-03-13 16:55:39 -0500}, |
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Date-Modified = {2006-03-13 17:01:15 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Brush_MCEwaldApplication_66.pdf}, |
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Month = {September}, |
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Number = {6}, |
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Pages = {2102-2118}, |
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Title = {Monte Carlo Study of a One-Component Plasma. I}, |
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Volume = {45}, |
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Year = {1966}} |
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@article{Ewald21, |
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Author = {P.~P. Ewald}, |
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Date-Added = {2006-03-13 13:32:04 -0500}, |
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Date-Modified = {2006-03-16 22:39:27 -0500}, |
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Journal = {Ann. Physik}, |
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Pages = {253-287}, |
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Title = {Die Berechnung optischer und elektrostatischer Gitterpotential}, |
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Volume = {64}, |
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Year = {1921}} |
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@article{Jones56, |
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Author = {R.~E. Jones and D.~H. Templeton}, |
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Date-Added = {2006-03-13 13:25:58 -0500}, |
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Date-Modified = {2006-03-13 13:27:15 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Jones_ChargeShapeFunctions_56.pdf}, |
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Number = {5}, |
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Pages = {1062-1063}, |
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Title = {Optimum Atomic Shape for Bertaut Series}, |
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Volume = {25}, |
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Year = {1956}} |
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@article{Heyes81, |
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Author = {D.~M. Heyes}, |
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Date-Added = {2006-03-13 13:12:45 -0500}, |
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Date-Modified = {2006-03-13 13:14:27 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Keywords = {Empty Keywords}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Heyes_CoulombChargeSpreading_81.pdf}, |
| 227 |
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Number = {3}, |
| 228 |
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Pages = {1924-1929}, |
| 229 |
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Title = {Electrostatic potentials and fields in infinite point charge lattices}, |
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Volume = {74}, |
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Year = {1981}} |
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@article{Steinbach94, |
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Author = {P.~J. Steinbach and B.~R. Brooks}, |
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Date-Added = {2006-03-12 19:26:45 -0500}, |
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Date-Modified = {2006-03-12 19:29:43 -0500}, |
| 237 |
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Doi = {10.1002/jcc.540150702}, |
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Journal = {J. Comput. Chem.}, |
| 239 |
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Number = {7}, |
| 240 |
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Pages = {667-683}, |
| 241 |
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Title = {New spherical-cutoff methods for long-range forces in macromolecular simulation}, |
| 242 |
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Volume = {15}, |
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Year = {1994}} |
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@article{deLeeuw80, |
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Author = {S.~W. {de Leeuw} and J.~W. Perram and E.~R. Smith}, |
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Date-Added = {2006-03-07 10:26:31 -0500}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/Wolf_Potential/toCite/Essmann_SmoothPME_95.pdf}, |
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Number = {19}, |
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Pages = {8577-8593}, |
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< |
Title = {A smooth particle mesh Ewald method }, |
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Title = {A smooth particle mesh Ewald method}, |
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Volume = {103}, |
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Year = {1995}} |
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@article{Darden93, |
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Author = {T. Darden and D. York and L. Pedersen}, |
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Date-Modified = {2006-02-15 10:09:52 -0500}, |
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Date-Modified = {2006-03-16 08:37:25 -0500}, |
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Journal = {Journal of Chemical Physics}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Darden_ParticleMeshEwald_93.pdf}, |
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Number = 12, |
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Pages = {10089-10092}, |
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Title = {Particle mesh Ewald: An $N \log N$ method for Ewald sums in large systems}, |
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@article{Marrink03, |
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Author = {S.~J. Marrink and A.~E. Mark}, |
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Date-Modified = {2006-02-15 10:28:41 -0500}, |
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Date-Modified = {2006-03-16 09:54:52 -0500}, |
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Journal = {J. Am. Chem. Soc.}, |
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Pages = {15233-15242}, |
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< |
Title = {Molecular Dynaimcs Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles}, |
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Title = {Molecular Dynamics Simulation of the Formation, Structure, and Dynamics of Small Phospholipid Vesicles}, |
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Volume = 125, |
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Year = 2003} |
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