Entry: NAFlex_miniABC_Na_1


Nucleic Acid Data:


SequenceGCAACGTGCTATGGAAGC
Rev. SequenceGCTTCCATAGCACGTTGC
TypeDNA
SubTypeB
Chainsduplex
Pdb-
LigandsNo
KeywordsB-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl


Simulation Metadata
Force FieldparmBSC1
Simulation Date2016-Mar-11
Simulated Time1,000 ns
Time Step1 ps
PartsDNA+ions
Temperature298K
WaterSPC/E
Additional SolventNo
Counter IonsNa+
Ionic ConcentrationElectroneutrality
Additional IonsNo
Additional MoleculesNo
Ions ParametersDang
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
Simulation Metadata (UMM)
AdditionalIonsNo
AdditionalMoleculesNo
AdditionalSolventNo
AuthorP.D.
Chainsduplex
CommentsminiABC project, Na collection
CounterIonsNa+
Formatcrd
FrameStep1 ps
Frames1000000
IonicConcentrationElectroneutrality
IonsParametersDang
LigandsNo
NucTypeDNA
PDBNONE
PartsDNA+ions
SubTypeB
Temperature298K
TopologyminiABC_1.Na.ions.top
TrajectoryminiABC_1.Na.ions.1000ns.trj
WaterSPC/E
_idNAFlex_miniABC_Na_1
boxAngle109.471219
boxX74.982
boxY74.982
boxZ74.982
datasetArray
date2016-Mar-11
descriptionB-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl
forceFieldparmBSC1
ionsModel-
moleculeTypeDna
rev_sequenceGCTTCCATAGCACGTTGC
saltConcentration-
sequenceGCAACGTGCTATGGAAGC
soluteAtoms1140
soluteCharge-34
soluteResidues36
solventAtoms-
solventResidues-
time1,000
totalAtoms1140
totalCharge-34
totalIons-
totalResidues36
Quality Control
RMSd-
Rgyr-
SASA-
RMSf-