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MD simulation systems used for explicit-solvent SAXS/SANS calculations presented in: A Round Robin Approach Provides a Detailed Assessment of Biomolecular Small-Angle Scattering Data Reproducibility and Yields Consensus Curves for Benchmarking Jill Trewhella, Patrice Vachette, Jan Bierma, Clement Blanchet, Emre Brookes, Srinivas Chakravarthy, Leonie Chatzimagas, Thomas E Cleveland, Nathan Cowieson, Ben Crossett, Anthony P Duff, Daniel Franke, Frank Gabel, Richard E Gillilan and Melissa Graewert Submitted to Acta Crystallographica Section D, 2022 Simulations were designed and carried out by Leonie Chatzimagas and supervised by Jochen S. Hub Saarland University, Theoretical Physics and Center for Biophyscis Simulation systems are provided for GROMACS. To carry out the explicit-solvent SAXS/SANS calculation, use GROMACS-SWAXS: Source code: https://gitlab.com/cbjh/gromacs-swaxs Documentation: https://cbjh.gitlab.io/gromacs-swaxs-docs/
WAXSiS, Small-angle scattering, Explicit-solvent SAXS/SANS calculations
WAXSiS, Small-angle scattering, Explicit-solvent SAXS/SANS calculations
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