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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

, and . Journal of Chemical Theory and Computation, 9 (7): 3084-3095 (2013)PMID: 26583988.
DOI: 10.1021/ct400341p

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Efficient Execution of Homogeneous Tasks with Unequal Run Times on the Connection Machine., and . ICPP (3), page 304-305. CRC Press, (1991)PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data, and . Journal of Chemical Theory and Computation, 9 (7): 3084-3095 (2013)PMID: 26583988.A Suite of Analysis Tools Based on a General Purpose Abstract Interpreter., , and . CC, volume 786 of Lecture Notes in Computer Science, page 188-202. Springer, (1994)Parallel bin packing using first fit and k-delayed best-fit heuristics., , and . SPDP, page 501-504. IEEE Computer Society, (1990)A Research Computing and Data Capabilities Model for Strategic Decision-Making., , , , , , , , and . PEARC, page 77-84. ACM, (2020)AmberTools., , , , , , , , , and 37 other author(s). J. Chem. Inf. Model., 63 (20): 6183-6191 (October 2023)Professionalization of Research Computing and Data: An Expanded Agenda., , , , , , , , , and 1 other author(s). PEARC, page 129-136. ACM, (2023)A Suite of Optimizers Based on Abstract Interpretation., and . PEPM, page 75-81. Yale University, (1992)Bulk synchronous parallel computing-a paradigm for transportable software., , , and . HICSS (2), page 268-275. IEEE Computer Society, (1995)Polyhedral Compilation Support for C++ Features: A Case Study with CPPTRAJ., , , and . LCPC, volume 11403 of Lecture Notes in Computer Science, page 26-35. Springer, (2017)