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Entry: NAFlex_RNA_miniABC_KCl_3
Nucleic Acid Data:
Sequence
GCAGAAACAGCUCUGCGC
Rev. Sequence
GCGCAGAGCUGUUUCUGC
Type
SubType
Chains
Pdb
-
Ligands
Keywords
MD Simulation >>
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Simulation Metadata
Force Field
parmBSC0+OL3
Simulation Date
2022-Aug-24
Simulated Time
- ns
Time Step
Parts
-
Temperature
K
Water
Additional Solvent
Counter Ions
Ionic Concentration
-
Additional Ions
Additional Molecules
Ions Parameters
Unified Molecular Modeling (UMM) Metadata
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full
UMM)
Simulation Metadata (UMM)
Author
.
IonicConcentration
-
Parts
-
RMSd_avg
2.081
RMSd_stdev
0.484
Rgyr_avg
16.745
Rgyr_stdev
0.558
SASA_avg
6538.323
SASA_stdev
99.420
Temperature
K
_id
NAFlex_RNA_miniABC_KCl_3
boxAngle
109.471219
boxX
82.5157479
boxY
82.5157479
boxZ
82.5157479
dataset
Array
date
2022-Aug-24
description
forceField
parmBSC0+OL3
ionsModel
-
moleculeType
Rna
rev_sequence
GCGCAGAGCUGUUUCUGC
saltConcentration
-
sequence
GCAGAAACAGCUCUGCGC
soluteAtoms
1154
soluteCharge
-34
soluteResidues
36
solventAtoms
-
solventResidues
-
time
-
totalAtoms
1154
totalCharge
-34
totalIons
-
totalResidues
36
Quality Control
RMSd
2.081 (0.484) Å
Rgyr
16.745 (0.558) Å
SASA
6538.323 (99.420) Ų
RMSf
Trajectory Analyses >>
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Curves Analysis
Stiffness Analysis
PCAzip Analysis
NMR_JC Analysis
NMR NOEs Analysis
HBs Analysis
Contacts Analysis