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New functionalities in the GROMOS biomolecular simulation software., , , , , , , and . J. Comput. Chem., 33 (3): 340-353 (2012)The GROMOS software for biomolecular simulation: GROMOS05., , , , , , , , , and 3 other author(s). J. Comput. Chem., 26 (16): 1719-1751 (2005)Comparison of four methods to compute the dielectric permittivity of liquids from molecular dynamics simulations, , and . J. Chem. Phys., 115 (3): 1125--1136 (2001)Using the local elevation method to construct optimized umbrella sampling potentials: Calculation of the relative free energies and interconversion barriers of glucopyranose ring conformers in water., and . J. Comput. Chem., 31 (1): 1-23 (2010)A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations., , and . J. Comput. Chem., 22 (5): 501-508 (2001)Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules., , , , , , and . J. Chem. Inf. Model., 62 (12): 3043-3056 (2022)A fast pairlist-construction algorithm for molecular simulations under periodic boundary conditions., and . J. Comput. Chem., 25 (12): 1474-1486 (2004)A multiple time step algorithm compatible with a large number of distance classes and an arbitrary distance dependence of the time step size for the fast evaluation of nonbonded interactions in molecular simulations., and . J. Comput. Chem., 27 (11): 1163-1176 (2006)A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers., and . J. Comput. Chem., 32 (6): 998-1032 (2011)A new GROMOS force field for hexopyranose-based carbohydrates., and . J. Comput. Chem., 26 (13): 1400-1412 (2005)