Entry: NAFlex_FOXA3_dna_rep1


Nucleic Acid Data:


SequenceGACTAAGTCAACCACGC
Rev. SequenceGCGTGGTTGACTTAGTC
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
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
RMSd_avg2.157
RMSd_stdev0.523
Rgyr_avg17.469
Rgyr_stdev0.345
SASA_avg6105.721
SASA_stdev94.384
SubTypeB
Temperature300K
TopologyFOXA3_dna_minim_nowater.gro
TrajectoryFOXA3_dna_rep1_mdprod_sample.xtc
WaterSPCE
_idNAFlex_FOXA3_dna_rep1
datasetArray
date2019-Jan-11
descriptionDNA-B Duplex Naked SPC/E AddedSalt
forceFieldparmBSC1
ionsModel-
moleculeTypeDna
rev_sequenceGCGTGGTTGACTTAGTC
saltConcentration-
sequenceGACTAAGTCAACCACGC
soluteAtoms1077
soluteCharge-
soluteResidues34
solventAtoms-
solventResidues-
time50
totalAtoms1077
totalCharge-
totalIons-
totalResidues34
Quality Control
RMSd2.157 (0.523) Å    
Rgyr17.469 (0.345) Å    
SASA6105.721 (94.384) Ų    
RMSf