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s_4/MD | MC3 lipid CpHMD parametrization test (dV/dl coefficients, after Boltzmann reweighting) | MDRepo
Records
MC3 lipid CpHMD parametrization test (dV/dl coefficients, after Boltzmann reweighting)
Experiments
s_4/MD
Overview
MD-A00C7U
MC3 lipid CpHMD parametrization test (dV/dl coefficients, after Boltzmann reweighting)
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Overview
Trajectory viewer
Analyses
Warnings
{"tag":"pbcontacts","message":""}
Force Field & Water Model
Force field
CHARMM36
Water model
TIP3P
Simulation Parameters
Frames
2,001
Frequency
50 ps
Simulation length
100.05 ns
Timestep
2 fs
Temperature
300 K
Ensemble
NPT
Simulation Box
Box type
cubic
X
52.222 nm
Y
52.222 nm
Z
52.222 nm
Box volume
142,416.13 nm³
System Composition
Total system
129
atoms
4
residues
Protein
0
atoms
0
residues
Nucleic acids
0
atoms
0
residues
Lipids
0
atoms
0
residues
Carbohydrates
0
atoms
0
residues
Solvent
0
atoms
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0
0
residues