Entry: NAFlex_2lpw


Nucleic Sequence:


SequenceAAGGGTGGGTGTAAGTGTGGGTGGGT
Rev. Sequence-
TypeDNA
SubTypeG-loop
Chainssingle quadruplex
Pdb 2LPW
LigandsNo


Force FieldparmBSC1
Simulated Time5,000 ns
Time Step1ns
PartsDNA
Temperature298K
Water ModelTIP3P
Additional SolventNo
Counter IonsK+
Ionic ConcentrationElectroneutrality
Additional IonsNo
Additional MoleculesNo
Ions ParametersDang
RMSd5.724 (1.059) Å    
RMSf
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
AdditionalIonsNo
AdditionalMoleculesNo
AdditionalSolventNo
AuthorG.P.
Chainssingle quadruplex
Comments-
CounterIonsK+
Formatxtc
FrameStep1ns
Frames5000
IonicConcentrationElectroneutrality
IonsParametersDang
LigandsNo
NucTypeDNA
PDB2lpw
PartsDNA
RMSd_avg5.724
RMSd_stdev1.059
Rgyr_avg12.204
Rgyr_stdev0.503
SASA_avg968.868
SASA_stdev250.187
SubTypeG-loop
Temperature298K
Topologyinit_2lpw.pdb
Trajectory2lpw_bsc1_5mic.xtc
WaterTIP3P
_idNAFlex_2lpw
authorsIvan Ivani, Pablo D. Dans, Agnès Noy, Alberto Pérez, Ignacio Faustino, Adam Hospital, Jürgen Walther, Pau Andrio, Ramon Goñi, Alexandra Balaceanu, Guillem Portella, Federica Battistini, Josep Lluís Gelpí, Carlos González, Michele Vendruscolo, Charles A. Laughton, Sarah A. Harris, David A. Case and Modesto Orozco
datasetArray
date0.00000000 1430870400
descriptionDNA Single Stranded Naked ParmBSC1 TIP3P Electroneutral G-Loop
forceFieldparmBSC1
ionsModel-
moleculeTypeDna
rev_sequence-
saltConcentration-
sequenceAAGGGTGGGTGTAAGTGTGGGTGGGT
soluteAtoms846
soluteCharge846
soluteResidues26
solventAtoms-
solventResidues-
time5,000
totalAtoms846
totalCharge846
totalIons-
totalResidues26


Selection:
MDAnalysis Atom Selection Syntax
e.g. resid 2:11 or resid 13:20
Frame (start:stop:step)
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Analysis

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