ECC: Tetramethyl-ammonium - Acetate. GAFF-BCC, full charges
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资源简介：
GAFF forcefield with BCC charges for TMA and ACE in SPCE water, as downloaded from virtualchemistry.org * 100 ns NPT for equilibrium box size * 100 ns NVT equilibration * 20 ns NVT production
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Zenodo创建时间：
2020-03-07
