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Molecular Modeling and Bioinformatics Group

Entry: NAFlex_Tirr_RNA_hairpin


Nucleic Acid Data:


SequenceGGACAAGAUGCCUUAUGUGGACUUCACCACAUAAGGCAUCUUGUCC
Rev. Sequence-
TypeRNA
SubTypeA
Chainshairpin
Pdb-
LigandsNo
KeywordsRNA-A Protein-Nuc TIP3P AddedSalt


Simulation Metadata
Force FieldparmBSC1
Simulation Date0.00000000 1662336000
Simulated Time1,000
Time Step20 ps
PartsRNA+protein_Tirr
Temperature298K
WaterTIP3P
Additional SolventNo
Counter IonsK+
Ionic Concentration0.15M
Additional IonsKCl
Additional MoleculesNo
Ions ParametersDang
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
Simulation Metadata (UMM)
AdditionalIonsKCl
AdditionalMoleculesNo
AdditionalSolventNo
AuthorF.B.
Chainshairpin
Comments-
CounterIonsK+
Formatnc
FrameStep20 ps
Frames1000000
IonicConcentration0.15M
IonsParametersDang
LigandsNo
NucTypeRNA
PDBNONE
PartsRNA+protein_Tirr
SubTypeA
Temperature298K
Topologymon3_hairpinl_nowat.NAFlex.prmtop
Trajectorymon3_hairpinlmd_reimage.5000.nc
WaterTIP3P
_idNAFlex_Tirr_RNA_hairpin
datasetArray
date0.00000000 1662336000
descriptionRNA-A Protein-Nuc TIP3P AddedSalt
forceFieldparmBSC0+OL3
ionsModel-
moleculeTypeProt-Rna
rev_sequence-
saltConcentration-
sequenceGGACAAGAUGCCUUAUGUGGACUUCACCACAUAAGGCAUCUUGUCC
soluteAtoms4676
soluteCharge-41
soluteResidues248
solventAtoms-
solventResidues-
time1,000
totalAtoms4676
totalCharge-41
totalIons-
totalResidues248
Quality Control
RMSd-
Rgyr-
SASA-
RMSf-