Entry: NAFlex_miniABC_K_9


Nucleic Acid Data:


SequenceGCGTTAGATTAAAATTGC
Rev. SequenceGCAATTTTAATCTAACGC
TypeDNA
SubTypeB
Chainsduplex
Pdb-
LigandsNo
KeywordsB-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol KCl


Simulation Metadata
Force FieldparmBSC1
Simulation Date2016-Mar-11
Simulated Time1,000 ns
Time Step1 ps
PartsDNA+ions
Temperature298K
WaterSPC/E
Additional SolventNo
Counter IonsK+
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, K collection
CounterIonsK+
Formatcrd
FrameStep1 ps
Frames1000000
IonicConcentrationElectroneutrality
IonsParametersDang
LigandsNo
NucTypeDNA
PDBNONE
PartsDNA+ions
SubTypeB
Temperature298K
TopologyminiABC_9.K.ions.top
TrajectoryminiABC_9.K.ions.1000ns.trj
WaterSPC/E
_idNAFlex_miniABC_K_9
boxAngle109.471219
boxX75.213
boxY75.213
boxZ75.213
datasetArray
date2016-Mar-11
descriptionB-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol KCl
forceFieldparmBSC1
ionsModel-
moleculeTypeDna
rev_sequenceGCAATTTTAATCTAACGC
saltConcentration-
sequenceGCGTTAGATTAAAATTGC
soluteAtoms1144
soluteCharge-34
soluteResidues36
solventAtoms-
solventResidues-
time1,000
totalAtoms1144
totalCharge-34
totalIons-
totalResidues36
Quality Control
RMSd-
Rgyr-
SASA-
RMSf-