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@STRING{prl = "Phys. Rev. Lett."} |
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@STRING{rmp = "Rev. Mod. Phys."} |
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@article{Luty96, |
| 49 |
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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 |
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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 |
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Volume = {100}, |
| 58 |
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Year = {1996}} |
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@article{Rhee89, |
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Author = {Y.-J. Rhee and J.~W. Halley and J. Hautman and A. Rahman}, |
| 62 |
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Date-Added = {2006-03-18 20:48:07 -0500}, |
| 63 |
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| 64 |
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Journal = {Phys. Rev. B}, |
| 65 |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Rhee_finiteDimensionEwald_88.pdf}, |
| 66 |
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Number = {1}, |
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Pages = {36-42}, |
| 68 |
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Title = {Ewald methods in molecular dynamics for systems of finite extent in one of three dimensions}, |
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Volume = {40}, |
| 70 |
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Year = {1989}} |
| 71 |
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@article{Hunenberger99a, |
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Author = {P.~H. H\"{u}nenberger and J.~A. McCammon}, |
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Date-Added = {2006-03-18 20:14:24 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Hunenberger_IonSolutionEwaldArtifacts_99.pdf}, |
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Number = {4}, |
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Pages = {1856-1872}, |
| 80 |
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Title = {Ewald artifacts in computer simulations of ionic solvation and ion -- ion interaction: A continuum electrostatics study}, |
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Volume = {110}, |
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Year = {1999}} |
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Author = {J.~E. Roberts and J. Schnitker}, |
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Date-Added = {2006-03-18 20:12:23 -0500}, |
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| 88 |
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Journal = {J. Phys. Chem.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_BoundryConditionsIonWater_95.pdf}, |
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Pages = {1322-1331}, |
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Title = {Boundary Conditions in Sumulations of Aqueous Ionic Solutions: A Systematic Study}, |
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Volume = {99}, |
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Year = {1995}} |
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@article{Roberts94, |
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Author = {J.~E. Roberts and J. Schnitker}, |
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Date-Added = {2006-03-18 20:10:37 -0500}, |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Roberts_IonSolventEwaldProbs_94.pdf}, |
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Pages = {5024-5031}, |
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Title = {How the unit cell surface charge distriubution affects the energetics of ion-solvent interactions in simulations}, |
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Year = {1994}} |
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Author = {I.-C. Yeh and M.~L. Berkowitz}, |
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Date-Added = {2006-03-18 19:24:27 -0500}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Yeh_SlabCorrectionEwald_99.pdf}, |
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Number = {7}, |
| 114 |
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Pages = {3155-3162}, |
| 115 |
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Title = {Ewald summation for systems with slab geometry}, |
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Volume = {111}, |
| 117 |
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Year = {1999}} |
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@article{Parry76, |
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Author = {D.~E. Parry}, |
| 121 |
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Date-Added = {2006-03-18 19:11:01 -0500}, |
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Pages = {195}, |
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Title = {Errata: The electrostatic potential in the surface region of an ionic crystal}, |
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| 127 |
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Year = {1976}} |
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Author = {D.~E. Parry}, |
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| 133 |
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Journal = {Surf. Sci.}, |
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Pages = {433-440}, |
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Title = {The electrostatic potential in the surface region of an ionic crystal}, |
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Year = {1975}} |
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Author = {S.~W. {de Leeuw} and J.~W. Perram}, |
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Pages = {1313-1327}, |
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Title = {Electrostatic Lattice Sums for Semi-Infinite Lattices}, |
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Year = {1979}} |
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Journal = {J. Chem. Soc., Faraday Trans. II}, |
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Pages = {1485-1496}, |
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Title = {Molecular dynamics computer simulation of surface properties of crystalline potassium chloride}, |
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Volume = {73}, |
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Date-Added = {2006-03-18 18:51:02 -0500}, |
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| 164 |
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Journal = {J. Chem. Phys.}, |
| 165 |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/Spohr_2DElectrostatics_97.pdf}, |
| 166 |
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Number = {16}, |
| 167 |
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Pages = {6342-6348}, |
| 168 |
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Author = {D. York and W. Yang}, |
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Date-Added = {2006-03-18 11:52:58 -0500}, |
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| 176 |
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Journal = {J. Chem. Phys.}, |
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Local-Url = {file://localhost/Users/cfennell/Documents/pdf_files/TheoryTechniques/Ewald/York_FFPoissonEwald_94.pdf}, |
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Number = {4}, |
| 179 |
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Pages = {3298-3300}, |
| 180 |
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Title = {The fast Fourier Poisson method for calculating Ewald sums}, |
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Volume = {101}, |
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Year = {1994}} |
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Author = {J. Shimada and H. Kaneko and T. Takada}, |
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Volume = {14}, |
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@article{Luty94, |
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Author = {B.~A. Luty and M.~E. Davis and I.~G. Tironi and W.~F. {van~Gunsteren}}, |
| 196 |
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Date-Added = {2006-03-18 10:37:17 -0500}, |
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Date-Modified = {2006-03-18 11:09:55 -0500}, |
| 198 |
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Journal = {Mol. Simul.}, |
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Pages = {11-20}, |
| 200 |
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Title = {A comparison of particle-particle particle-mesh and Ewald methods for calculating electrostatic interactions in periodic systems}, |
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Volume = {14}, |
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Year = {1994}} |
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Author = {R.~W. Hockney and J.~W. Eastwood}, |
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Publisher = {McGraw-Hill}, |
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Title = {Computer Simulation Using Particles}, |
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Year = {1981}} |
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Date-Added = {2006-03-17 18:27:01 -0500}, |
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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}, |
| 219 |
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Pages = {155-179}, |
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Title = {Molecular Dynamics Simulations of Biomolecules: Long-Range Electrostatic Effects}, |
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Year = {1999}} |
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Author = {J.~W. Perram and H.~G. Petersen and S.~W. {de Leeuw}}, |
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| 248 |
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Journal = {Proc. R. Soc. London Ser. A}, |
| 249 |
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| 250 |
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Pages = {475-505}, |
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Title = {Electrostatic Energy in Ionic Crystals}, |
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Number = {15}, |
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Pages = {3668-3675}, |
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Title = {Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions: Influence of Artificial Periodicity on Peptide Conformation}, |
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Author = {P.~H. H\"{u}nenberger and J.~A. McCammon}, |
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Journal = {Biophys. Chem.}, |
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Title = {Effect of artificial periodicity in simulations of biomolecules under Ewald boundary conditions: a continuum electrostatics study}, |
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| 281 |
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| 282 |
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| 283 |
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| 286 |
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| 287 |
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Pages = {3668-3679}, |
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Title = {Accuracy and efficiency of the particle mesh Ewald method}, |
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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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< |
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< |
Date-Modified = {2006-02-15 10:28:41 -0500}, |
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< |
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