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MC3 lipid CpHMD parametrization: calibration run at lambda 0.30 (buffer 0.70)
Experiments
run
Overview
MD-A00C6U
MC3 lipid CpHMD parametrization: calibration run at lambda 0.30 (buffer 0.70)
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Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM36
Water model
TIP3P
Simulation Parameters
Frames
21
Frequency
50 ps
Simulation length
1.05 ns
Timestep
2 fs
Temperature
300 K
Ensemble
NPT
Simulation Box
Box type
cubic
X
58.597 nm
Y
58.597 nm
Z
58.597 nm
Box volume
201,201.92 nm³
System Composition
Total system
127
atoms
2
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
0
residues
Counter-Ions
Cations (+)
0
Anions (-)
0
Total ions
0