Entry: NAFlex_FOXO3_dna_rep3


Nucleic Acid Data:


SequenceGACTATGTAAACAACGC
Rev. SequenceGCGTTGTTTACATAGTC
TypeDNA
SubTypeB
Chainsduplex
Pdb-
LigandsNo
KeywordsDNA-B Duplex Naked SPC/E AddedSalt


Simulation Metadata
Force FieldparmBSC1
Simulation Date2019-Jan-11
Simulated Time50 ns
Time Step10 ps
PartsDNA+ions
Temperature300K
WaterSPCE
Additional SolventNo
Counter IonsNa+Cl-
Ionic Concentration0.05M
Additional IonsNo
Additional MoleculesNo
Ions Parameters-
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
Simulation Metadata (UMM)
AdditionalIonsNo
AdditionalMoleculesNo
AdditionalSolventNo
AuthorA.M.
Chainsduplex
CommentsN/A
CounterIonsNa+Cl-
Formatxtc
FrameStep10 ps
Frames5000
IonicConcentration0.05M
IonsParameters-
LigandsNo
NucTypeDNA
PDB-
PartsDNA+ions
RMSd_avg2.514
RMSd_stdev0.610
Rgyr_avg17.440
Rgyr_stdev0.340
SASA_avg6138.406
SASA_stdev95.405
SubTypeB
Temperature300K
TopologyFOXO3_dna_minim_nowater.gro
TrajectoryFOXO3_dna_rep3_mdprod_sample.xtc
WaterSPCE
_idNAFlex_FOXO3_dna_rep3
datasetArray
date2019-Jan-11
descriptionDNA-B Duplex Naked SPC/E AddedSalt
forceFieldparmBSC1
ionsModel-
moleculeTypeDna
rev_sequenceGCGTTGTTTACATAGTC
saltConcentration-
sequenceGACTATGTAAACAACGC
soluteAtoms1079
soluteCharge-
soluteResidues34
solventAtoms-
solventResidues-
time50
totalAtoms1079
totalCharge-
totalIons-
totalResidues34
Quality Control
RMSd2.514 (0.610) Å    
Rgyr17.440 (0.340) Å    
SASA6138.406 (95.405) Ų    
RMSf