ECC: Tetramethyl-ammonium - Acetate. GAFF-RESP, scaled charges (0.75)
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下载链接：
https://zenodo.org/record/3700484
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资源简介：
GAFF forcefield with recalculated, scaled RESP 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
创建时间：
2020-06-09
