Published August 13, 2022
| Version v1
Dataset
Open
Etidocaine binding to POPC membrane, CHARMM36-ParamChem, 34 mM, 298 K
Authors/Creators
Description
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
Files
Files
(23.0 GB)
| Name | Size | |
|---|---|---|
|
md5:dd75a1be4065c45aeac5ac98142f1272
|
13.6 MB | Download |
|
md5:1ea940613f5536fade0621c01ad3e06c
|
67.9 MB | Download |
|
md5:3375c1a2123390357a3a3e3a3bbd0c71
|
25.4 MB | Download |
|
md5:78f795e1a0df58857ac6e3e51a685b3f
|
8.6 MB | Download |
|
md5:34c0f03f64009a4ae990f1bcca5bf5e3
|
1.2 kB | Download |
|
md5:d3097dbc37ea4ed287146ec19e5f38b8
|
18.8 MB | Download |
|
md5:e54efe95bce761152b5ed15de17fbbc0
|
548 Bytes | Download |
|
md5:c1a9527bc2e56fbb41774df413ede7b5
|
14.9 MB | Download |
|
md5:78f30766482a7300ef64df10371020f5
|
22.9 GB | Download |
|
md5:7827f831f2f9f74548d3118a629f0357
|
2.1 kB | Download |
|
md5:0334db5662b06b3bfcde15bb46504f85
|
208.8 kB | Download |