Entry: NAFlex_muAAAA


Nucleic Acid Data:


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


Simulation Metadata
Force FieldparmBSC1
Simulation Date2016-Apr-29
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_avg2.613
RMSd_stdev0.574
Rgyr_avg18.385
Rgyr_stdev0.375
SASA_avg6497.358
SASA_stdev98.111
SubTypeB
Temperature298K
TopologyTCGA_nowat.prmtop
TrajectoryTCGA_last250ns.trj
WaterSPCE
_idNAFlex_muAAAA
boxAngle109.471219
boxX80.72643
boxY80.72643
boxZ80.72643
datasetArray
date2016-Apr-29
descriptionDNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt
forceFieldparmBSC0
ionsModel-
moleculeTypeDna
rev_sequenceGCTTTTTTTTTTTTTTGC
saltConcentration-
sequenceGCAAAAAAAAAAAAAAGC
soluteAtoms1146
soluteCharge-34
soluteResidues36
solventAtoms-
solventResidues-
time1,000
totalAtoms1146
totalCharge-34
totalIons-
totalResidues36
Quality Control
RMSd2.613 (0.574) Å    
Rgyr18.385 (0.375) Å    
SASA6497.358 (98.111) Ų    
RMSf