Entry: NAFlex_miniABC_NaK_1


Nucleic Acid Data:


SequenceGCAACGTGCTATGGAAGC
Rev. SequenceGCTTCCATAGCACGTTGC
TypeDNA
SubTypeB
Chainsduplex
Pdb-
LigandsNo
KeywordsB-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl/KCl 50%/50%


Simulation Metadata
Force FieldparmBSC1
Simulation Date2016-Mar-12
Simulated Time1,000 ns
Time Step1 ps
PartsDNA+ions
Temperature298K
WaterSPC/E
Additional SolventNo
Counter IonsK+,Na+
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, NaK collection
CounterIonsK+,Na+
Formatcrd
FrameStep1 ps
Frames1000000
IonicConcentrationElectroneutrality
IonsParametersDang
LigandsNo
NucTypeDNA
PDBNONE
PartsDNA+ions
SubTypeB
Temperature298K
TopologyminiABC_1.NaK.ions.top
TrajectoryminiABC_1.NaK.ions.1000ns.trj
WaterSPC/E
_idNAFlex_miniABC_NaK_1
boxAngle109.471219
boxX75.057
boxY75.057
boxZ75.057
datasetArray
date2016-Mar-12
descriptionB-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl/KCl 50%/50%
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-