Entry: NAFlex_FOXO3_dna_rep0


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-10
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_avg2.641
RMSd_stdev0.607
Rgyr_avg17.446
Rgyr_stdev0.335
SASA_avg6139.808
SASA_stdev95.412
SubTypeB
Temperature300K
TopologyFOXO3_dna_minim_nowater.gro
TrajectoryFOXO3_dna_rep0_mdprod_sample.xtc
WaterSPCE
_idNAFlex_FOXO3_dna_rep0
datasetArray
date2019-Jan-10
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
RMSd2.641 (0.607) Å    
Rgyr17.446 (0.335) Å    
SASA6139.808 (95.412) Ų    
RMSf