Entry: NAFlex_TF_1le5_16_wholeB


Nucleic Acid Data:


SequenceAGCGGAAATTCCCG
Rev. SequenceCXGGAATTTCCGCT
TypeProt+DNA
SubTypeB
Chainsduplex
Pdb-
LigandsNo
Keywords-B Duplex Naked TIP3P Electroneutral


Simulation Metadata
Force FieldparmBSC1
Simulation Date2022-Jun-14
Simulated Time200 ns
Time Step2 ps
PartsProt+DNA
Temperature300K
WaterTIP3P
Additional SolventNo
Counter IonsK+Cl-
Ionic ConcentrationElectroneutrality
Additional Ions150 mM
Additional MoleculesNo
Ions ParametersDang
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
Simulation Metadata (UMM)
AdditionalIons150 mM
AdditionalMoleculesNo
AdditionalSolventNo
AuthorM.W.
Chainsduplex
CommentsMilosz MSCA
CounterIonsK+Cl-
Formatxtc
FrameStep2 ps
Frames250
IonicConcentrationElectroneutrality
IonsParametersDang
LigandsNo
NucTypeProt+DNA
PDB-
PartsProt+DNA
RMSd_avg2.879
RMSd_stdev0.285
Rgyr_avg30.794
Rgyr_stdev0.674
SASA_avg31242.530
SASA_stdev790.819
SubTypeB
Temperature300K
Topologywhole.pdb
Trajectorywhole.xtc
WaterTIP3P
_idNAFlex_TF_1le5_16_wholeB
datasetArray
date2022-Jun-14
description-B Duplex Naked TIP3P Electroneutral
forceFieldparmBSC1
ionsModel-
moleculeTypeProt
rev_sequenceCXGGAATTTCCGCT
saltConcentration-
sequenceAGCGGAAATTCCCG
soluteAtoms9528
soluteCharge-
soluteResidues574
solventAtoms-
solventResidues-
time200
totalAtoms9528
totalCharge-
totalIons-
totalResidues574
Quality Control
RMSd-
Rgyr-
SASA-
RMSf-