MDRepo
/
Communities
My depositions
New Deposition
EN
Log in
348_rep1 | mdCATH 2gt1A01 | MDRepo
Records
mdCATH 2gt1A01
Experiments
348_rep1
Overview
MD-A00C3G
mdCATH 2gt1A01
Back to record
Overview
Trajectory viewer
Analyses
Force Field & Water Model
Force field
CHARMM22*
Water model
TIP3P
Simulation Parameters
Frames
500
Frequency
1,000 ps
Simulation length
500 ns
Timestep
4 fs
Temperature
348 K
Ensemble
NVT
Simulation Box
Box type
cubic
X
N/A
Y
N/A
Z
N/A
Box volume
N/A
System Composition
Total system
2,637
atoms
163
residues
Protein
2,637
atoms
163
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