Entry: NAFlex_muGAAC


Nucleic Acid Data:


SequenceGCACGAACGAACGAACGC
Rev. SequenceGCGTTCGTTCGTTCGTGC
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_avg2.911
RMSd_stdev0.591
Rgyr_avg18.271
Rgyr_stdev0.399
SASA_avg6370.125
SASA_stdev129.893
SubTypeB
Temperature298K
TopologyTCGA_nowat.prmtop
TrajectoryTCGA_last250ns.trj
WaterSPCE
_idNAFlex_muGAAC
boxAngle109.471219
boxX80.7639215
boxY80.7639215
boxZ80.7639215
datasetArray
date2016-May-03
descriptionDNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt
forceFieldparmBSC0
ionsModel-
moleculeTypeDna
rev_sequenceGCGTTCGTTCGTTCGTGC
saltConcentration-
sequenceGCACGAACGAACGAACGC
soluteAtoms1139
soluteCharge-34
soluteResidues36
solventAtoms-
solventResidues-
time1,000
totalAtoms1139
totalCharge-34
totalIons-
totalResidues36
Quality Control
RMSd2.911 (0.591) Å    
Rgyr18.271 (0.399) Å    
SASA6370.125 (129.893) Ų    
RMSf