Etidocaine binding to POPC membrane, CHARMM36-ParamChem, 34 mM, 298 K
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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:<br> xtc:<br> NAME: [name]<br> SIZE: [MB]<br> MODIFIED: [yyyy-mm-dd time]<br> LENGTH: [ps]<br> SAVING_FREQUENCY: [ps]<br> BEGIN: [ps] - how much of the simulation was simulated before and is excluded FILES:<br> tpr:<br> GMX_VERSION: gromacs version used for "gmx grompp" creation of *.tpr file at local computer log:<br> GMX_VERSION: gromacs version used for "gmx mdrun" at cluster and read out from *.log file
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Zenodo创建时间：
2022-09-07
