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Entry: NAFlex_Prot-RNA-T1
Nucleic Acid Data:
Sequence
GGACAAGAUGCCUUAUGUGGACU
Rev. Sequence
UCACCACAUAAGGCAUCUUGUCC
Type
RNA
SubType
A
Chains
single hairpin
Pdb
-
Ligands
No
Keywords
RNA-A Single Stranded Naked TIP3P AddedSalt
MD Simulation >>
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Simulation Metadata
Force Field
parmBSC1
Simulation Date
0.00000000 1649376000
Simulated Time
450
Time Step
1ps
Parts
Protein-RNA
Temperature
300K
Water
TIP3P
Additional Solvent
No
Counter Ions
KCl
Ionic Concentration
0.15M
Additional Ions
No
Additional Molecules
No
Ions Parameters
Dang
Unified Molecular Modeling (UMM) Metadata
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full
UMM)
Simulation Metadata (UMM)
AdditionalIons
No
AdditionalMolecules
No
AdditionalSolvent
No
Author
F.B.
Chains
single hairpin
Comments
-
CounterIons
KCl
Format
mdcrd
FrameStep
1ps
Frames
450000
IonicConcentration
0.15M
IonsParameters
Dang
Ligands
No
NucType
RNA
PDB
NONE
Parts
Protein-RNA
RMSd_avg
3.434
RMSd_stdev
0.770
Rgyr_avg
20.249
Rgyr_stdev
0.643
SASA_avg
3936.792
SASA_stdev
255.249
SubType
A
Temperature
300K
Topology
md.imaged.rot.dry.pdb
Trajectory
md.imaged.rot.5000.trj
Water
TIP3P
_id
NAFlex_Prot-RNA-T1
dataset
Array
date
0.00000000 1649376000
description
RNA-A Single Stranded Naked TIP3P AddedSalt
forceField
parmBSC0+OL3;amber14sb
ionsModel
-
moleculeType
Rna
rev_sequence
UCACCACAUAAGGCAUCUUGUCC
saltConcentration
-
sequence
GGACAAGAUGCCUUAUGUGGACU
soluteAtoms
1467
soluteCharge
1467
soluteResidues
46
solventAtoms
-
solventResidues
-
time
450
totalAtoms
1467
totalCharge
1467
totalIons
-
totalResidues
46
Quality Control
RMSd
-
Rgyr
-
SASA
-
RMSf
-
Trajectory Analyses >>
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