遇见数据集

Etidocaine binding to POPC membrane, CHARMM36-ParamChem, 34 mM, 298 K

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资源简介:

System info in README.yaml, including basic analysis - headgroup OP, averaged APL and repead distance, analysis performed only from eqilibrated part of the simulation, marked as "BINDINGEQ", here: FILES: xtc: NAME: [name] SIZE: [MB] MODIFIED: [yyyy-mm-dd time] LENGTH: [ps] SAVING_FREQUENCY: [ps] BEGIN: [ps] - how much of the simulation was simulated before and is excluded FILES: tpr: GMX_VERSION: gromacs version used for "gmx grompp" creation of *.tpr file at local computer log: GMX_VERSION: gromacs version used for "gmx mdrun" at cluster and read out from *.log file

创建时间:
2022-09-07
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