{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,8]],"date-time":"2025-07-08T04:04:35Z","timestamp":1751947475867,"version":"3.41.2"},"reference-count":17,"publisher":"Springer Science and Business Media LLC","issue":"1-4","license":[{"start":{"date-parts":[[1998,12,1]],"date-time":"1998-12-01T00:00:00Z","timestamp":912470400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[1998,12,1]],"date-time":"1998-12-01T00:00:00Z","timestamp":912470400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Numerical Algorithms"],"published-print":{"date-parts":[[1998,12]]},"DOI":"10.1023\/a:1019198205349","type":"journal-article","created":{"date-parts":[[2003,2,19]],"date-time":"2003-02-19T23:30:27Z","timestamp":1045697427000},"page":"213-221","source":"Crossref","is-referenced-by-count":7,"title":["Modified potential energy functions for constrained molecular dynamics"],"prefix":"10.1007","volume":"19","author":[{"given":"Sebastian","family":"Reich","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"329274_CR1","volume-title":"Computer Simulations of Liquids","author":"M.P. Allen","year":"1987","unstructured":"M.P. Allen and D.J. Tildesley, Computer Simulations of Liquids (Clarendon Press, Oxford, 1987)."},{"key":"329274_CR2","doi-asserted-by":"publisher","first-page":"557","DOI":"10.1007\/BF01218157","volume":"113","author":"G. Benettin","year":"1989","unstructured":"G. Benettin, L. Galgani and A. Giorgilli, Realization of holonomic constraints and freezing of high frequency degrees of freedom in the light of classical perturbation theory. Part II, Commun. Math. Phys. 113 (1989) 557-601.","journal-title":"Part II, Commun. Math. Phys."},{"key":"329274_CR3","doi-asserted-by":"publisher","first-page":"1117","DOI":"10.1007\/BF02188219","volume":"74","author":"G. Benettin","year":"1994","unstructured":"G. Benettin and A. Giorgilli, On the Hamiltonian interpolation of near to the identity symplectic mappings with application to symplectic integration algorithms, J. Statist. Phys. 74 (1994) 1117- 1143.","journal-title":"J. Statist. Phys."},{"key":"329274_CR4","doi-asserted-by":"publisher","first-page":"318","DOI":"10.1006\/jcph.1993.1220","volume":"109","author":"J.J. Biesiadecki","year":"1993","unstructured":"J.J. Biesiadecki and R.D. Skeel, Dangers of multiple-time-step methods, J. Comput. Phys. 109 (1993) 318-328.","journal-title":"J. Comput. Phys."},{"key":"329274_CR5","doi-asserted-by":"publisher","first-page":"1785","DOI":"10.1002\/(SICI)1096-987X(19971115)18:14<1785::AID-JCC7>3.0.CO;2-G","volume":"18","author":"T. Bishop","year":"1997","unstructured":"T. Bishop, R.D. Skeel and K. Schulten, Difficulties with multiple time-stepping and the fast multipole algorithm in molecular dynamics, J. Comput. Chem. 18 (1997) 1785-1791.","journal-title":"J. Comput. Chem."},{"key":"329274_CR6","doi-asserted-by":"publisher","first-page":"187","DOI":"10.1002\/jcc.540040211","volume":"4","author":"B.R. Brooks","year":"1983","unstructured":"B.R. Brooks, R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan and M. Karplus, CHARMM: A program for macromolecular energy, minimization, and dynamics calculations, J. Comput. Chem. 4 (1983) 187-217.","journal-title":"J. Comput. Chem."},{"key":"329274_CR7","unstructured":"B.R. Brooks, J. Zhou and S. Reich, Elastic molecular dynamics with flexible constraints (in preparation, 1998)."},{"key":"329274_CR8","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1080\/08927029108022142","volume":"6","author":"H. Grubm\u00fcller","year":"1991","unstructured":"H. Grubm\u00fcller, H. Heller, A. Windemuth and K. Schulten, Generalized Verlet algorithm for efficient molecular dynamics simulations with long-range interactions, Molecular Simulations 6 (1991) 121-142.","journal-title":"Molecular Simulations"},{"key":"329274_CR9","doi-asserted-by":"publisher","first-page":"5000","DOI":"10.1063\/1.438314","volume":"71","author":"E. Helfand","year":"1979","unstructured":"E. Helfand, Flexible vs. rigid constraints in statistical mechanics, J. Chem. Phys. 71 (1979) 5000-5007.","journal-title":"J. Chem. Phys."},{"key":"329274_CR10","doi-asserted-by":"publisher","first-page":"117","DOI":"10.1006\/jcph.1994.1085","volume":"112","author":"B. Leimkuhler","year":"1994","unstructured":"B. Leimkuhler and R.D. Skeel, Symplectic numerical integrators in constrained Hamiltonian systems, J. Comput. Phys. 112 (1994) 117-125.","journal-title":"J. Comput. Phys."},{"key":"329274_CR11","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4612-2682-6","volume-title":"An Introduction to Mechanics and Symmetry","author":"J.R. Marsden","year":"1994","unstructured":"J.R. Marsden and T. Ratiu, An Introduction to Mechanics and Symmetry (Springer, New York, 1994)."},{"key":"329274_CR12","doi-asserted-by":"publisher","first-page":"28","DOI":"10.1016\/0167-2789(95)00212-X","volume":"89","author":"S. Reich","year":"1995","unstructured":"S. Reich, Smoothed dynamics of highly oscillatory Hamiltonian systems, Physica D 89 (1995) 28-42.","journal-title":"Physica D"},{"key":"329274_CR13","doi-asserted-by":"publisher","first-page":"4176","DOI":"10.1103\/PhysRevE.53.4176","volume":"53","author":"S. Reich","year":"1996","unstructured":"S. Reich, Torsion dynamics of molecular systems, Phys. Rev. E 53 (1996) 4176-4181.","journal-title":"Phys. Rev. E"},{"key":"329274_CR14","unstructured":"S. Reich, Dynamical systems, numerical integration, and exponentially small estimates, Habilitationsschrift, FU Berlin (1998)."},{"key":"329274_CR15","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1002\/cpa.3160100103","volume":"10","author":"H. Rubin","year":"1957","unstructured":"H. Rubin and P. Ungar, Motion under a strong constraining force, Comm. Pure Appl. Math. 10 (1957) 65-87.","journal-title":"Comm. Pure Appl. Math."},{"key":"329274_CR16","doi-asserted-by":"publisher","first-page":"1990","DOI":"10.1063\/1.463137","volume":"97","author":"M. Tuckerman","year":"1992","unstructured":"M. Tuckerman, B.J. Berne and G.J. Martyna, Reversible multiple time scale molecular dynamics, J. Chem. Phys. 97 (1992) 1990-2001.","journal-title":"J. Chem. Phys."},{"key":"329274_CR17","doi-asserted-by":"publisher","first-page":"1029","DOI":"10.1103\/PhysRev.159.98","volume":"159","author":"L. Verlet","year":"1967","unstructured":"L. Verlet, Computer experiments on classical fluids: I. Thermodynamical properties of Lennard-Jones molecules, Phys. Rev. 159 (1967) 1029-1039.","journal-title":"Phys. Rev."}],"container-title":["Numerical Algorithms"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1019198205349.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1023\/A:1019198205349\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1019198205349.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,7,7]],"date-time":"2025-07-07T06:44:31Z","timestamp":1751870671000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1023\/A:1019198205349"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1998,12]]},"references-count":17,"journal-issue":{"issue":"1-4","published-print":{"date-parts":[[1998,12]]}},"alternative-id":["329274"],"URL":"https:\/\/doi.org\/10.1023\/a:1019198205349","relation":{},"ISSN":["1017-1398","1572-9265"],"issn-type":[{"type":"print","value":"1017-1398"},{"type":"electronic","value":"1572-9265"}],"subject":[],"published":{"date-parts":[[1998,12]]}}}