Amber Lipid21 bilayer simulations
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资源简介：
GROMACS files for Lipid21 bilayer simulations. Trajectories have been processed using trjconv -skip 10 and the first 100 ns of the 500 ns simulations were removed. Used for comparison with OpenFF Sage 2.2.0 and refit simulations. 128 lipid systems include: POPC, POPE, DMPC, POPS, SM16(PSM), 15% POPC/CHOL, and 50% POPC/CHOL Visit this Git repository for a workflow to generate other Lipid21 compositions for GROMACS simulations
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Zenodo创建时间：
2025-01-31
