Entry: NAFlex_muCGGT


Nucleic Acid Data:


SequenceGCGTCGGTCGGTCGGTGC
Rev. SequenceGCACCGACCGACCGACGC
TypeDNA
SubTypeB
Chainsduplex
Pdb-
LigandsNo
KeywordsDNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt


Simulation Metadata
Force FieldparmBSC1
Simulation Date2016-May-03
Simulated Time1,000 ns
Time Step1 ps
PartsDNA+ions
Temperature298K
WaterSPCE
Additional SolventNo
Counter IonsK+Cl-
Ionic Concentration0.15M
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
CommentsmuABC
CounterIonsK+Cl-
Formatmdcrd
FrameStep1 ps
Frames1000000
IonicConcentration0.15M
IonsParametersDang
LigandsNo
NucTypeDNA
PDBNONE
PartsDNA+ions
RMSd_avg2.808
RMSd_stdev0.606
Rgyr_avg18.338
Rgyr_stdev0.389
SASA_avg6403.537
SASA_stdev99.588
SubTypeB
Temperature298K
TopologyTCGA_nowat.prmtop
TrajectoryTCGA_last250ns.trj
WaterSPCE
_idNAFlex_muCGGT
boxAngle109.471219
boxX80.6581493
boxY80.6581493
boxZ80.6581493
datasetArray
date2016-May-03
descriptionDNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt
forceFieldparmBSC0
ionsModel-
moleculeTypeDna
rev_sequenceGCACCGACCGACCGACGC
saltConcentration-
sequenceGCGTCGGTCGGTCGGTGC
soluteAtoms1136
soluteCharge-34
soluteResidues36
solventAtoms-
solventResidues-
time1,000
totalAtoms1136
totalCharge-34
totalIons-
totalResidues36
Quality Control
RMSd2.808 (0.606) Å    
Rgyr18.338 (0.389) Å    
SASA6403.537 (99.588) Ų    
RMSf