The Extended Eighth-Shell Method for Periodic Boundary Conditions with Rotational Symmetry

Samarjeet Prasad,Andrew C. Simmonett,Ruben Meana-Paneda,Bernard R. Brooks

Journal of Computational Chemistry（2021）

引用 5|浏览14

关键词

CHARMM,domain decomposition,Eighth&#8208,Shell method,Extended Eighth&#8208,Shell method,high performance computing,lipid simulations,P2(1) periodic boundary conditions

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