Files for Molecular Dynamics Simulation of COSAN (Q6697553)
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Dataset published at Zenodo repository.
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| English | Files for Molecular Dynamics Simulation of COSAN |
Dataset published at Zenodo repository. |
Statements
Topology file (.top), force field parameters file (.prm) and coordinate file (.pdb) for Molecular Dynamics Simulations of COSAN molecule compatible with CHARMM force field. Files based on the parameters reported in: D.C. Malaspina, C. Vias, F. Teixidor, J. FaraudoAtomistic Simulations of COSAN: Amphiphiles without a Head-and-Tail Design Display Head and Tail Surfactant Behavior, Angewandte Chemie International Edition Vol 59(8),Pages3088-3092 (2020) DOI:10.1002/anie.201913257
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4 March 2020
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1.0
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