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57		@string{rmp = {Rev. Mod. Phys.}}
58
59
60	+	@article{Collard1991,
61	+	Author = {Collard, S.M. and McLellan, R.B.},
62	+	Date-Added = {2011-01-25 17:05:11 -0500},
63	+	Date-Modified = {2011-01-25 17:06:48 -0500},
64	+	Journal = {Acta metall. mater.},
65	+	Keywords = {gold; bulk modulus},
66	+	Number = {12},
67	+	Pages = {3143-3151},
68	+	Title = {High-temperature elastic constants of gold single-crystals},
69	+	Volume = {39},
70	+	Year = {1991},
71	+	Bdsk-File-1 = {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}}
72	+
73	+	@techreport{QSC2,
74	+	Author = {Kimura, Y. and Qi, Y. and Cagin, T. and Goddard~III, W.A.},
75	+	Date-Added = {2011-01-18 11:52:13 -0500},
76	+	Date-Modified = {2011-02-16 17:12:12 -0500},
77	+	Institution = {Caltech ASCI},
78	+	Lastchecked = {January 19, 2011},
79	+	Number = {003},
80	+	Title = {The Quantum Sutton-Chen Many Body Potential for Properties of fcc Metals},
81	+	Url = {http://csdrm.caltech.edu/publications/cit-asci-tr/cit-asci-tr003.pdf},
82	+	Year = {1998},
83	+	Bdsk-Url-1 = {http://csdrm.caltech.edu/publications/cit-asci-tr/cit-asci-tr003.pdf}}
84	+
85	+	@misc{open_md,
86	+	Author = {Gezelter, J. D. and Kuang, S. and Marr, J. and Stocker, K. M. and Li, C. and Vardeman, C. F. and Lin, T. and Fennell, C. J. and Sun, X. and Daily, K. and Zheng, Y. and Meineke, M. A.},
87	+	Date-Added = {2011-01-18 11:24:22 -0500},
88	+	Date-Modified = {2011-01-20 12:11:55 -0500},
89	+	Howpublished = {http://openmd.net},
90	+	Lastchecked = {January 18, 2011},
91	+	Title = {OpenMD, an open source engine for molecular dynamics},
92	+	Bdsk-Url-1 = {http://openmd.net}}
93	+
94	+	@misc{Q_Hull,
95	+	Author = {Barber, C. Bradford and Huhdanpaa, Hannu},
96	+	Date-Added = {2011-01-18 11:19:34 -0500},
97	+	Date-Modified = {2011-02-16 16:57:25 -0500},
98	+	Howpublished = {\url{http://www.qhull.org}},
99	+	Keywords = {1993 Software Library Is Available From the National Science and Technology Re- search Center for Computation and Visualization of Geometric Structures (The Geometry Center), University of Minnesota},
100	+	Lastchecked = {January 18, 2011},
101	+	Title = {Qhull},
102	+	Url = {http://www.qhull.org},
103	+	Urldate = {January 18, 2011},
104	+	Bdsk-Url-1 = {http://www.qhull.org}}
105	+
106	+	@unpublished{QSC,
107	+	Author = {Y. Kimura and T. Cagin and W. A. {Goddard III}},
108	+	Date-Added = {2010-11-11 16:40:36 -0500},
109	+	Date-Modified = {2010-11-11 16:40:36 -0500},
110	+	Note = {Downloaded from: $\mathtt{http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps}$},
111	+	Title = {The Quantum Sutton-Chen Many Body Potential for Properties of FCC metals},
112	+	Url = {http://wag.caltech.edu/home-pages/tahir/psfiles/51.ps},
113	+	Year = {1998},
114	+	Bdsk-Url-1 = {citeseer.ist.psu.edu/150963.html}}
115	+
116	+	@article{Zhu:2008fk,
117	+	Abstract = {Two simple models are developed to accurately account for short-range solvation effects in molecular dynamics simulations of biomolecular systems in water. The methods limit the amount of solvent that must be treated explicitly to two or three solvation shells, thereby eliminating the need for periodic boundary conditions, which significantly reduces the computational complexity. In the dynamic boundary model, a confining potential is imposed on the solvent that responds dynamically to fluctuations in the solvent distribution and conformations of the biomolecular solute. In the exchange boundary solvation model, the molecules at the surface of the explicit solvation shell are allowed to undergo pairwise exchanges with the bulk to maintain a uniform hydration of the solute. The models are used to study the solvation thermodynamics of a 11-residue polyalanine helix in water. A broad range of structural and dynamic properties characterizing both the protein and the surrounding solvent are computed. Comparison with the results obtained from conventional periodic boundary condition simulations shows excellent agreement, and the new solvation models are found to improve computational efficiency by up two orders of magnitude. (C) 2008 Elsevier B.V. All rights reserved.},
118	+	Address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
119	+	Author = {Zhu, Wusheng and Krilov, Goran},
120	+	Date-Added = {2010-11-11 16:29:05 -0500},
121	+	Date-Modified = {2010-11-11 16:29:05 -0500},
122	+	Doi = {DOI 10.1016/j.theochem.2008.05.035},
123	+	Isi = {000259719400006},
124	+	Isi-Recid = {173553934},
125	+	Isi-Ref-Recids = {45853871 70732554 152291148 104489423 104489429 65322851 87480881 90163797 93668415 39889551 46774919 72549485 282445 41538860 50985260 52031423 118060314 121628598 148959020 62737851 93573488 134643892 36862872 83010484 105744290 91472272 110749892 118461739 120957948 134599612 114633021 70197537 107985288 146240895 127089201 143385646 150932516 142444198 121603296 109842709 125496094 107255659 134599616 102272218 75630818 101084982 44754957 149298475 117544086 124879696 62609631 67033562 149633382 109842663 63091485 111340113 105035661 73139919 173553935 107383980 104342509 125966406 104156158 89313539 37068368 57373279 29138640 53172669 136485000 126777112 134886755},
126	+	Journal = {J. Mol. Struct. - THEOCHEM},
127	+	Keywords = {molecular dynamics; hybrid solvation; polyalanine; non-periodic boundary conclicion},
128	+	Month = sep,
129	+	Number = {1-3},
130	+	Pages = {31--41},
131	+	Publisher = {ELSEVIER SCIENCE BV},
132	+	Times-Cited = {0},
133	+	Title = {New flexible boundary hybrid solvation models for efficient biomolecular simulations},
134	+	Volume = {864},
135	+	Year = {2008},
136	+	Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000259719400006}}
137	+
138	+	@article{PhysRevB.33.7983,
139	+	Author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.},
140	+	Date-Added = {2010-11-11 16:24:12 -0500},
141	+	Date-Modified = {2010-11-11 16:24:12 -0500},
142	+	Doi = {10.1103/PhysRevB.33.7983},
143	+	Journal = {Phys. Rev. B},
144	+	Local-Url = {file://localhost/Users/charles/Documents/Papers/p7983_1.pdf},
145	+	Month = {Jun},
146	+	Number = {12},
147	+	Numpages = {8},
148	+	Pages = {7983-7991},
149	+	Publisher = {American Physical Society},
150	+	Title = {Embedded-atom-method functions for the fcc metals {C}u, {A}g, {A}u, {N}i, {P}d, {P}t, and their alloys},
151	+	Volume = {33},
152	+	Year = {1986},
153	+	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.33.7983}}
154	+
155	+	@article{Chen90,
156	+	Author = {A.~P. Sutton and J. Chen},
157	+	Date-Added = {2010-11-11 16:23:18 -0500},
158	+	Date-Modified = {2010-11-11 16:23:18 -0500},
159	+	Journal = {Phil. Mag. Lett.},
160	+	Pages = {139-146},
161	+	Title = {Long-Range Finnis Sinclair Potentials},
162	+	Volume = 61,
163	+	Year = {1990}}
164	+
165	+	@article{Brown1991195,
166	+	Author = {Guy C. Brown},
167	+	Date-Added = {2010-11-09 15:01:26 -0500},
168	+	Date-Modified = {2010-11-09 15:01:26 -0500},
169	+	Doi = {DOI: 10.1016/S0022-5193(05)80422-9},
170	+	Issn = {0022-5193},
171	+	Journal = {J. Theor. Biol.},
172	+	Number = {2},
173	+	Pages = {195 - 203},
174	+	Title = {Total cell protein concentration as an evolutionary constraint on the metabolic control distribution in cells},
175	+	Url = {http://www.sciencedirect.com/science/article/B6WMD-4KDGTFP-4/2/db99c5d9b22a51b80eaf218762c3c514},
176	+	Volume = {153},
177	+	Year = {1991},
178	+	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/B6WMD-4KDGTFP-4/2/db99c5d9b22a51b80eaf218762c3c514},
179	+	Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0022-5193(05)80422-9}}
180	+
181	+	@article{Asthagiri20053300,
182	+	Author = {D. Asthagiri and A. Paliwal and D. Abras and A.M. Lenhoff and M.E. Paulaitis},
183	+	Date-Added = {2010-11-09 14:38:13 -0500},
184	+	Date-Modified = {2010-11-09 14:38:13 -0500},
185	+	Doi = {DOI: 10.1529/biophysj.104.058859},
186	+	Issn = {0006-3495},
187	+	Journal = {Biophys. J.},
188	+	Number = {5},
189	+	Pages = {3300 - 3309},
190	+	Title = {A Consistent Experimental and Modeling Approach to Light-Scattering Studies of Protein-Protein Interactions in Solution},
191	+	Url = {http://www.sciencedirect.com/science/article/B94RW-4V40XMK-W/2/e216be642ad376c3e507cc19a623a474},
192	+	Volume = {88},
193	+	Year = {2005},
194	+	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/B94RW-4V40XMK-W/2/e216be642ad376c3e507cc19a623a474},
195	+	Bdsk-Url-2 = {http://dx.doi.org/10.1529/biophysj.104.058859}}
196	+
197	+	@article{Dey:2003ts,
198	+	Abstract = {There are many scientific and engineering applications where an automatic detection of shape dimension from sample data is necessary. Topological dimensions of shapes constitute an important global feature of them. We present a Voronoi-based dimension detection algorithm that assigns a dimension to a sample point which is the topological dimension of the manifold it belongs to. Based on this dimension detection, we also present an algorithm to approximate shapes of arbitrary dimension from their samples. Our empirical results with data sets in three dimensions support our theory.},
199	+	Address = {175 FIFTH AVE, NEW YORK, NY 10010 USA},
200	+	Author = {Dey, TK and Giesen, J and Goswami, S and Zhao, WL},
201	+	Date = {APR 2003},
202	+	Date-Added = {2010-11-04 11:11:29 -0400},
203	+	Date-Modified = {2011-02-16 17:00:39 -0500},
204	+	Doi = {DOI 10.1007/s00454-002-2838-9},
205	+	Journal = {Discrete Comput. Geom.},
206	+	Pages = {419-434},
207	+	Publisher = {SPRINGER-VERLAG},
208	+	Timescited = {3},
209	+	Title = {Shape dimension and approximation from samples},
210	+	Volume = {29},
211	+	Year = {2003},
212	+	Bdsk-Url-1 = {http://dx.doi.org/10.1007/s00454-002-2838-9}}
213	+
214	+	@article{EDELSBRUNNER:1994oq,
215	+	Abstract = {Frequently, data in scientific computing is in its abstract form a finite point set in space, and it is sometimes useful or required to compute what one might call the ''shape'' of the set. For that purpose, this article introduces the formal notion of the family of alpha-shapes of a finite point set in R3. Each shape is a well-defined polytope, derived from the Delaunay triangulation of the point set, with a parameter alpha is-an-element-of R controlling the desired level of detail. An algorithm is presented that constructs the entire family of shapes for a given set of size n in time O(n2), worst case. A robust implementation of the algorithm is discussed, and several applications in the area of scientific computing are mentioned.},
216	+	Address = {1515 BROADWAY, NEW YORK, NY 10036},
217	+	Author = {Edelsbrunner, H and Mucke, E.~P.},
218	+	Date = {JAN 1994},
219	+	Date-Added = {2010-11-04 11:11:14 -0400},
220	+	Date-Modified = {2010-11-04 11:11:14 -0400},
221	+	Journal = {ACM Trans. Graphics},
222	+	Keywords = {COMPUTATIONAL GRAPHICS; DELAUNAY TRIANGULATIONS; GEOMETRIC ALGORITHMS; POINT SETS; POLYTOPES; ROBUST IMPLEMENTATION; SCIENTIFIC COMPUTING; SCIENTIFIC VISUALIZATION; SIMPLICIAL COMPLEXES; SIMULATED PERTURBATION; 3-DIMENSIONAL SPACE},
223	+	Pages = {43-72},
224	+	Publisher = {ASSOC COMPUTING MACHINERY},
225	+	Timescited = {270},
226	+	Title = {3-DIMENSIONAL ALPHA-SHAPES},
227	+	Volume = {13},
228	+	Year = {1994}}
229	+
230	+	@article{EDELSBRUNNER:1995cj,
231	+	Abstract = {Efficient algorithms are described for computing topological, combinatorial, and metric properties of the union of finitely many spherical balls in R(d) These algorithms are based on a simplicial complex dual to a decomposition of the union of balls using Voronoi cells, and on short inclusion-exclusion formulas derived from this complex. The algorithms are most relevant in R(3) where unions of finitely many balls are commonly used as models of molecules.},
232	+	Address = {175 FIFTH AVE, NEW YORK, NY 10010},
233	+	Author = {Edelsbrunner, H},
234	+	Date = {APR-JUN 1995},
235	+	Date-Added = {2010-11-04 11:11:14 -0400},
236	+	Date-Modified = {2011-02-16 17:00:28 -0500},
237	+	Journal = {Discrete Comput. Geom.},
238	+	Pages = {415-440},
239	+	Publisher = {SPRINGER VERLAG},
240	+	Timescited = {65},
241	+	Title = {THE UNION OF BALLS AND ITS DUAL SHAPE},
242	+	Volume = {13},
243	+	Year = {1995}}
244	+
245	+	@article{Barber96,
246	+	Author = {C.~B. Barber and D.~P. Dobkin and H.~T. Huhdanpaa},
247	+	Date-Added = {2010-10-27 12:52:57 -0400},
248	+	Date-Modified = {2010-10-27 12:52:57 -0400},
249	+	Journal = {ACM Trans. Math. Software},
250	+	Pages = {469-483},
251	+	Title = {The Quickhull Algorithm for Convex Hulls},
252	+	Volume = 22,
253	+	Year = 1996}
254	+
255	+	@article{delaunay,
256	+	Author = {B. Delaunay},
257	+	Date-Added = {2010-10-27 12:48:48 -0400},
258	+	Date-Modified = {2010-10-27 12:49:35 -0400},
259	+	Journal = {Bull. Acad. Science USSR VII:Class. Sci. Mat. Nat.},
260	+	Pages = {793-800},
261	+	Title = {Sur la sph{\`e}re vide},
262	+	Year = {1934}}
263	+
264	+	@article{springerlink:10.1007/BF00977785,
265	+	Author = {Lee, D. T. and Schachter, B. J.},
266	+	Date-Added = {2010-10-27 12:44:24 -0400},
267	+	Date-Modified = {2010-10-27 12:44:24 -0400},
268	+	Issn = {0885-7458},
269	+	Issue = {3},
270	+	Journal = {Int. J. Parallel Programming},
271	+	Keyword = {Computer Science},
272	+	Pages = {219-242},
273	+	Publisher = {Springer Netherlands},
274	+	Title = {Two algorithms for constructing a Delaunay triangulation},
275	+	Url = {http://dx.doi.org/10.1007/BF00977785},
276	+	Volume = {9},
277	+	Year = {1980},
278	+	Bdsk-Url-1 = {http://dx.doi.org/10.1007/BF00977785}}
279	+
280		@misc{Qhull,
281		Date-Added = {2010-10-21 12:05:09 -0400},
282		Date-Modified = {2010-10-21 12:05:09 -0400},
#	Line 74 \| Line 294
294		Isi = {000256936700007},
295		Isi-Recid = {171639081},
296		Isi-Ref-Recids = {74848920 50663994 119330651 134477260 22939933 131802420 114632880 64190493 55802797 21189309 75892319 21406638 110293282 113408519 96782216 130078852 17359022 100665361 113671463 49951397 123367767 123367728 154386980 102422498 35241737 32391149 6325223 127852571 58929276 95157449 32334819 42562624 12736689 163240533 130556111 122778971 51825394 49588888 145030437 101277182 101670714 148588118 73818708 142688207 124629108 18817706 103995016 149522882 50793 47098 109491995 114073447 108180005 98728780 112132273 16915130 31384453 127055599 134786719 131544581 124299358 1555937 160750161 85968524 163240534},
297	<	Journal = {Journal of Chemical Physics},
297	>	Journal = {J. Chem. Phys.},
298		Month = jun,
299		Number = {23},
300	+	Pages = {234107},
301		Publisher = {AMER INST PHYSICS},
302		Times-Cited = {2},
303		Title = {Langevin dynamics for rigid bodies of arbitrary shape},
#	Line 176 \| Line 397
397		Date-Added = {2010-10-19 10:14:13 -0400},
398		Date-Modified = {2010-10-19 10:14:13 -0400},
399		Doi = {DOI 10.1016/j.commatsci.2005.12.028},
400	<	Journal = {Computational Materials Science},
400	>	Journal = {Comp. Mat. Sci.},
401		Keywords = {high pressures; finite systems; volume; molecular dynamics},
402		Pages = {526-536},
403		Publisher = {ELSEVIER SCIENCE BV},
#	Line 194 \| Line 415
415		Date-Added = {2010-10-19 10:14:05 -0400},
416		Date-Modified = {2010-10-19 10:14:05 -0400},
417		Doi = {DOI 10.1002/cphc.200400607},
418	<	Journal = {Chemphyschem},
418	>	Journal = {ChemPhysChem},
419		Keywords = {clusters; gold; nanostructures; pressure; simulation},
420		Pages = {1848-1852},
421		Publisher = {WILEY-V C H VERLAG GMBH},
#	Line 204 \| Line 425
425		Year = {2005},
426		Bdsk-Url-1 = {http://dx.doi.org/10.1002/cphc.200400607}}
427
207	–	@article{Zhu:xw,
208	–	Author = {Zhu, Wusheng and Krilov, Goran},
209	–	Date-Added = {2010-10-19 10:13:55 -0400},
210	–	Date-Modified = {2010-10-19 10:13:55 -0400},
211	–	Journal = {Journal of Molecular Structure: THEOCHEM},
212	–	Keywords = {Molecular dynamics; Hybrid solvation; Polyalanine; Non-periodic boundary condition},
213	–	Pages = {--},
214	–	Title = {New flexible boundary hybrid solvation models for efficient biomolecular simulations},
215	–	Ty = {JOUR},
216	–	Url = {http://www.sciencedirect.com/science/article/B6TGT-4SPC0K0-6/1/ffff9c19dc09fefbeda9efaf0652c91c},
217	–	Volume = {In Press},
218	–	Year = {2008},
219	–	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/B6TGT-4SPC0K0-6/1/ffff9c19dc09fefbeda9efaf0652c91c}}
220	–
428		@article{LiY._jp046852t,
429		Abstract = {Abstract: A new approach is developed to study the dynamics of the localized process in solutions and other condensed phase systems. The approach employs a fluctuating elastic boundary (FEB) model which encloses the simulated system in an elastic bag that mimics the effects of the bulk solvent. This alleviates the need for periodic boundary conditions and allows for a reduction in the number of solvent molecules that need to be included in the simulation. The boundary bag is modeled as a mesh of quasi-particles connected by elastic bonds. The FEB model allows for volume and density fluctuations characteristic of the bulk system, and the shape of the boundary fluctuates during the course of the simulation to adapt to the configuration fluctuations of the explicit solute-solvent system inside. The method is applied to the simulation of a Lennard-Jones model of liquid argon. Various structural and dynamical quantities are computed and compared with those obtained from conventional periodic boundary simulations. The agreement between the two is excellent in most cases, thus validating the viability of the FEB method.},
430		Affiliation = {Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027},
#	Line 239 \| Line 446
446		Date-Added = {2010-10-19 09:49:30 -0400},
447		Date-Modified = {2010-10-19 09:49:30 -0400},
448		Doi = {10.1063/1.466711},
449	<	Journal = {The Journal of Chemical Physics},
449	>	Journal = {J. Chem. Phys.},
450		Keywords = {COMPUTERIZED SIMULATION; SOLVENTS; POTENTIALS; CALCULATION METHODS; SOLVATION; FREE ENERGY; SOLUTES; MOLECULAR CLUSTERS; RADII; SPHERES; INTEGRALS; BOLTZMANN EQUATION; VAN DER WAALS FORCES; COULOMB FIELD; CONFORMATIONAL CHANGES; EQUILIBRIUM; SAMPLING; BUTANE; HYDRATION; ALANINES; PEPTIDES},
451		Number = {12},
452		Pages = {9050-9063},
#	Line 274 \| Line 481
481		Date-Added = {2010-10-19 09:30:46 -0400},
482		Date-Modified = {2010-10-19 09:30:46 -0400},
483		Doi = {10.1063/1.456845},
484	<	Journal = {The Journal of Chemical Physics},
484	>	Journal = {J. Chem. Phys.},
485		Keywords = {AQUEOUS SOLUTIONS; LIQUID STRUCTURE; SOLVATION; INTERMOLECULAR FORCES; PROTEINS; BOUNDARY CONDITIONS; CONSTRAINTS; DIELECTRIC PROPERTIES; MOLECULAR DYNAMICS CALCULATIONS; COMPUTERIZED SIMULATION},
486		Number = {6},
487		Pages = {3647-3661},
#	Line 287 \| Line 494
494		Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.456845}}
495
496		@article{iii:6312,
497	<	Author = {C. L. Brooks III and Martin Karplus},
497	>	Author = {C.~L. {Brooks III} and Martin Karplus},
498		Date-Added = {2010-10-19 09:14:01 -0400},
499		Date-Modified = {2010-10-19 09:14:01 -0400},
500		Doi = {10.1063/1.445724},
501	<	Journal = {The Journal of Chemical Physics},
501	>	Journal = {J. Chem. Phys.},
502		Keywords = {DISTRIBUTION FUNCTIONS; ARGON; THERMODYNAMIC PROPERTIES; COMPUTERIZED SIMULATION; STRUCTURE FACTORS; LIQUID STRUCTURE},
503		Number = {12},
504		Pages = {6312-6325},
#	Line 302 \| Line 509
509		Year = {1983},
510		Bdsk-Url-1 = {http://link.aip.org/link/?JCP/79/6312/1},
511		Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.445724}}
305	–
306	–	@article{doi:10.1021/jp046852t,
307	–	Author = {Li, Yuhui and Krilov, Goran and Berne, B. J.},
308	–	Date-Added = {2010-10-19 08:58:54 -0400},
309	–	Date-Modified = {2010-10-19 08:58:54 -0400},
310	–	Doi = {10.1021/jp046852t},
311	–	Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp046852t},
312	–	Journal = {The Journal of Physical Chemistry B},
313	–	Note = {PMID: 16851037},
314	–	Number = {1},
315	–	Pages = {463-470},
316	–	Title = {Elastic Bag Model for Molecular Dynamics Simulations of Solvated Systems: Application to Liquid Argon},
317	–	Url = {http://pubs.acs.org/doi/abs/10.1021/jp046852t},
318	–	Volume = {109},
319	–	Year = {2005},
320	–	Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp046852t},
321	–	Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp046852t}}
512
513		@article{ISI:A1984TQ73500045,
514	<	Author = {BERENDSEN, HJC and POSTMA, JPM and VANGUNSTEREN, WF and DINOLA, A and HAAK, JR},
514	>	Author = {Berendsen, H.~J.~C. and Postma, J.~P.~M. and VanGunsteren, W.~F. and Dinola, A and Haak, J.~R.},
515		Date-Added = {2010-10-18 13:04:11 -0400},
516		Date-Modified = {2010-10-18 13:04:11 -0400},
517	<	Journal = {JOURNAL OF CHEMICAL PHYSICS},
328	<	Journal-Iso = {J. Chem. Phys.},
517	>	Journal = {J. Chem. Phys.},
518		Number = {8},
519		Pages = {3684-3690},
520	<	Title = {MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH},
520	>	Title = {molecular-dynamics with coupling to an external bath},
521		Volume = {81},
522		Year = {1984}}
523
524		@article{ANDERSEN:1980vn,
525		Address = {WOODBURY},
526	<	Author = {ANDERSEN, H. C.},
526	>	Author = {Andersen, H.~C.},
527		Cited-Reference-Count = {29},
528		Date-Added = {2010-10-18 13:01:27 -0400},
529		Date-Modified = {2010-10-18 13:01:27 -0400},
#	Line 343 \| Line 532
532		Isi-Document-Delivery-Number = {JK068},
533		Iso-Source-Abbreviation = {J. Chem. Phys.},
534		Issn = {0021-9606},
535	<	Journal = {JOURNAL OF CHEMICAL PHYSICS},
535	>	Journal = {J. Chem. Phys.},
536		Language = {English},
537		Number = {4},
538		Page-Count = {10},
#	Line 368 \| Line 557
557		Isi = {000085345300002},
558		Isi-Recid = {113793583},
559		Isi-Ref-Recids = {81972786 39595345 109970205 51854999 66009108 53306123 99223832 60134148 54857943 67654925 80228604 52514734 52893114 79704395 68016955 83328866 101670717 73702456 44796632 88334077 95381668 80404775},
560	<	Journal = {Journal of Chemical Physics},
560	>	Journal = {J. Chem. Phys.},
561		Month = feb,
562		Number = {8},
563		Pages = {3474--3482},
#	Line 382 \| Line 571
571		@article{FELLER:1995fk,
572		Abstract = {A new method for performing molecular dynamics simulations under constant pressure is presented. In the method, which is based on the extended system formalism introduced by Andersen, the deterministic equations of motion for the piston degree of freedom are replaced by a Langevin equation; a suitable choice of collision frequency then eliminates the unphysical ''ringing'' of the volume associated with the piston mass. In this way it is similar to the ''weak coupling algorithm'' developed by Berendsen and co-workers to perform molecular dynamics simulation without piston mass effects. It is shown, however, that the weak coupling algorithm induces artifacts into the simulation which can be quite severe for inhomogeneous systems such as aqueous biopolymers or liquid/liquid interfaces.},
573		Address = {CIRCULATION FULFILLMENT DIV, 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2999},
574	<	Author = {FELLER, SE and ZHANG, YH and PASTOR, RW and BROOKS, BR},
574	>	Author = {Feller, S.~E. and Zhang, Y.~H. and Pastor, R.~W. and Brooks, B.~R.},
575		Date-Added = {2010-10-18 12:59:12 -0400},
576		Date-Modified = {2010-10-18 12:59:12 -0400},
577		Isi = {A1995RU11000023},
578		Isi-Recid = {92912418},
579		Isi-Ref-Recids = {64516210 39595345 53816621 49016001 49016003 92912419 52031423 49377405 61751037 8052804 92912420 88334077 51117777 53442503 92912421 13886649 31384453 87659780 85624658 53101078 87752055 92912422},
580	<	Journal = {Journal of Chemical Physics},
580	>	Journal = {J. Chem. Phys.},
581		Month = sep,
582		Number = {11},
583		Pages = {4613--4621},
#	Line 409 \| Line 598
598		Isi = {000228287900056},
599		Isi-Recid = {143814862},
600		Isi-Ref-Recids = {72962882 39595345 143814863 91397367 92912418 110813457 111518806 49778585 102083652 120914607 80001319 54857943 111485260 88334077 95381668 130520135 41081337 135065719 126224491 120652643 108464729 123676541 127189050 123938968},
601	<	Journal = {Journal of Chemical Physics},
601	>	Journal = {J. Chem. Phys.},
602		Month = mar,
603		Number = {12},
604		Publisher = {AMER INST PHYSICS},
#	Line 420 \| Line 609
609		Bdsk-Url-1 = {http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS&DestLinkType=FullRecord;KeyUT=000228287900056}}
610
611		@misc{openmd,
612	<	Author = {J. Daniel Gezelter and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
612	>	Author = {J. Daniel Gezelter and Shenyu Kuang and James Marr and Kelsey M. Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
613		Date-Added = {2010-10-18 12:51:55 -0400},
614	<	Date-Modified = {2010-10-18 12:51:55 -0400},
614	>	Date-Modified = {2010-11-15 11:25:54 -0500},
615		Howpublished = {Available at {\tt http://openmd.net}},
616		Title = {{OpenMD, an open source engine for molecular dynamics}}}
617
#	Line 602 \| Line 791 \| can be very different from that of small hydrophobic m
791		Year = {1993},
792		Bdsk-File-1 = {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}}
793
605	–	@article{Li2005,
606	–	Abstract = {A new approach is developed to study the dynamics of the localized process in solutions and other condensed phase systems. The approach employs a fluctuating elastic boundary (FEB) model which encloses the simulated system in an elastic bag that mimics the effects of the bulk solvent. This alleviates the need for periodic boundary conditions and allows for a reduction in the number of solvent molecules that need to be included in the simulation. The boundary bag is modeled as a mesh of quasi-particles connected by elastic bonds. The FEB model allows for volume and density fluctuations characteristic of the bulk system, and the shape of the boundary fluctuates during the course of the simulation to adapt to the configuration fluctuations of the explicit solute-solvent system inside. The method is applied to the simulation of a Lennard-Jones model of liquid argon. Various structural and dynamical quantities are computed and compared with those obtained from conventional periodic boundary simulations. The agreement between the two is excellent in most cases, thus validating the viability of the FEB method.},
607	–	Author = {Li, Y. and Krilov, G. and Berne, B.J.},
608	–	Date-Added = {2010-09-08 16:48:01 -0400},
609	–	Date-Modified = {2010-09-08 16:48:01 -0400},
610	–	Journal = {J. Phys. Chem. B},
611	–	Keywords = {Elastic bag; dewetting},
612	–	Pages = {463-470},
613	–	Title = {Elastic bag model for molecular dynamics simulations of solvated systems: Application to liquid argon},
614	–	Volume = {109},
615	–	Year = {2005},
616	–	Bdsk-File-1 = {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}}
617	–
794		@article{Debenedetti1986,
795		Author = {Debenedetti, P.G.},
796		Date-Added = {2010-09-08 16:48:01 -0400},
#	Line 731 \| Line 907 \| can be very different from that of small hydrophobic m
907		Volume = {483},
908		Year = {2009},
909		Bdsk-File-1 = {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}}
734	–
735	–	@article{Baltazar2006,
736	–	Author = {S.E. Baltazar and A.H. Romero and J.L. Rodr{\'\i}guez-L{\'o}pez and H. Terrones and R. Marto{\v n}{\'a}k},
737	–	Date-Added = {2010-09-08 16:48:01 -0400},
738	–	Date-Modified = {2010-09-08 16:48:01 -0400},
739	–	Journal = {Computational Materials Science},
740	–	Keywords = {NPT},
741	–	Pages = {526-536},
742	–	Title = {Assessment of isobaric-isothermal (NPT) simulations for finite systems},
743	–	Volume = {37},
744	–	Year = {2006},
745	–	Bdsk-File-1 = {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}}
910
911		@article{Urquidi1999,
912		Author = {J. Urquidi and S. Singh and C.H. Cho and G.W. Robinson},
#	Line 817 \| Line 981 \| can be very different from that of small hydrophobic m
981		Author = {Jiyao Wang and Yuqing Deng and Beno{\^\i}t Roux},
982		Date-Added = {2010-09-08 16:48:01 -0400},
983		Date-Modified = {2010-09-08 16:48:01 -0400},
984	<	Journal = {Biophysical Journal},
984	>	Journal = {Biophys. J.},
985		Keywords = {restraining potential},
986		Month = {October},
987		Pages = {2798-2814},
#	Line 929 \| Line 1093 \| can be very different from that of small hydrophobic m
1093		Bdsk-File-1 = {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}}
1094
1095		@article{Brooks1983a,
1096	<	Author = {Brooks, C.L III and Karplus, M.},
1096	>	Author = {Brooks, C.~L.~III and Karplus, M.},
1097		Date-Added = {2010-09-08 16:48:01 -0400},
1098		Date-Modified = {2010-09-08 16:48:38 -0400},
1099		Journal = {J. Chem. Phys.},
#	Line 1184 \| Line 1348 \| can be very different from that of small hydrophobic m
1348		Author = {{Garc\'{i}a de la Torre}, Jose},
1349		Date-Added = {2008-04-29 15:11:32 -0400},
1350		Date-Modified = {2008-04-29 15:11:32 -0400},
1351	<	Journal = {Biophysical Chemistry},
1351	>	Journal = {Biophys. Chem.},
1352		Keywords = {Rigid macromolecules; Hydrodynamic properties; Bead-shell model; Three-dimensional structure},
1353		Number = {3},
1354		Pages = {265--274},
#	Line 1382 \| Line 1546 \| can be very different from that of small hydrophobic m
1546		Date-Added = {2008-01-11 16:16:43 -0500},
1547		Date-Modified = {2008-01-11 16:16:43 -0500},
1548		Journal = jcp,
1549	<	Journal1 = {The Journal of Chemical Physics},
1549	>	Journal1 = {J. Chem. Phys.},
1550		Journal2 = {J. Chem. Phys.},
1551		Keywords = {polymers; molecular models; hydrodynamics; rotation; interactions; macromolecules},
1552		Number = 5,
#	Line 1864 \| Line 2028 \| can be very different from that of small hydrophobic m
2028		Title = {Aspects of Structural Glass Transitions},
2029		Volume = {I},
2030		Year = 1989,
2031	<	Bdsk-File-1 = {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}}
2031	>	Bdsk-File-1 = {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}}
2032
2033		@article{Lewis91,
2034		Author = {L.~J. Lewis},
#	Line 1950 \| Line 2114 \| can be very different from that of small hydrophobic m
2114		@article{Hoover85,
2115		Author = {W.~G. Hoover},
2116		Date-Added = {2008-01-08 14:58:56 -0500},
2117	<	Date-Modified = {2008-01-08 14:58:57 -0500},
2117	>	Date-Modified = {2010-11-15 11:18:36 -0500},
2118		Journal = pra,
2119	<	Pages = 1695,
2119	>	Pages = 1695 # -1697,
2120		Title = {Canonical dynamics: Equilibrium phase-space distributions},
2121		Volume = 31,
2122		Year = 1985}
#	Line 2520 \| Line 2684 \| can be very different from that of small hydrophobic m
2684		Title = {Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals},
2685		Volume = 29,
2686		Year = 1984}
2523	–
2524	–	@article{Foiles86,
2525	–	Author = {S.~M. Foiles and M.~I. Baskes and M.~S. Daw},
2526	–	Date-Added = {2008-01-08 14:58:56 -0500},
2527	–	Date-Modified = {2008-01-08 14:58:58 -0500},
2528	–	Journal = prb,
2529	–	Number = 12,
2530	–	Pages = 7983,
2531	–	Title = {Embedded-atom-method functions for the fcc metals $\mbox{Cu, Ag, Au, Ni, Pd, Pt}$, and their alloys},
2532	–	Volume = 33,
2533	–	Year = 1986}
2687
2688		@article{Zahn02,
2689		Author = {D. Zahn and B. Schilling and S.~M. Kast},

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Comparing trunk/langevinHull/langevinHull.bib (file contents): Revision 3663 by gezelter, Thu Oct 21 16:24:13 2010 UTC vs. Revision 3722 by gezelter, Wed Feb 16 22:13:56 2011 UTC

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Comparing trunk/langevinHull/langevinHull.bib (file contents):
Revision 3663 by gezelter, Thu Oct 21 16:24:13 2010 UTC vs.
Revision 3722 by gezelter, Wed Feb 16 22:13:56 2011 UTC