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Molecular Modeling and Bioinformatics Group

Entry: NAFlex_RNA_miniABC_KCl_3


Nucleic Acid Data:


SequenceGCAGAAACAGCUCUGCGC
Rev. SequenceGCGCAGAGCUGUUUCUGC
Type
SubType
Chains
Pdb-
Ligands
Keywords


Simulation Metadata
Force FieldparmBSC1
Simulation Date0.00000000 1661299200
Simulated Time-
Time Step
Parts-
TemperatureK
Water
Additional Solvent
Counter Ions
Ionic Concentration-
Additional Ions
Additional Molecules
Ions Parameters
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
Simulation Metadata (UMM)
Author.
IonicConcentration-
Parts-
RMSd_avg2.081
RMSd_stdev0.484
Rgyr_avg16.745
Rgyr_stdev0.558
SASA_avg6538.323
SASA_stdev99.420
TemperatureK
_idNAFlex_RNA_miniABC_KCl_3
boxAngle109.471219
boxX82.5157479
boxY82.5157479
boxZ82.5157479
datasetArray
date0.00000000 1661299200
description
forceFieldparmBSC0+OL3
ionsModel-
moleculeTypeRna
rev_sequenceGCGCAGAGCUGUUUCUGC
saltConcentration-
sequenceGCAGAAACAGCUCUGCGC
soluteAtoms1154
soluteCharge-34
soluteResidues36
solventAtoms-
solventResidues-
time-
totalAtoms1154
totalCharge-34
totalIons-
totalResidues36
Quality Control
RMSd-
Rgyr-
SASA-
RMSf-