Sequence | CTGAACAATCACCCC |
Rev. Sequence | GGGGTGATTGTTCAG |
Type | DNA |
SubType | B |
Chains | duplex |
Pdb | - |
Ligands | No |
AdditionalIons | No |
AdditionalMolecules | No |
AdditionalSolvent | No |
Author | D.F. |
Chains | duplex |
Comments | CGeNArate: A Sequence-Dependent Coarse-Grained Model of DNA for Accurate Atomistic MD Simulations of kb-long Duplexes, DOI: 10.1093/nar/gkae444 |
CounterIons | No |
Format | mdcrd |
FrameStep | 20 ps |
Frames | 50000 |
IonicConcentration | No |
IonsParameters | No |
Ligands | No |
NucType | DNA |
PDB | NONE |
Parts | DNA |
RMSd_avg | 1.829 |
RMSd_stdev | 0.377 |
Rgyr_avg | 15.941 |
Rgyr_stdev | 0.348 |
SASA_avg | 2666.271 |
SASA_stdev | 15.043 |
SubType | B |
Temperature | 298K |
Topology | 1j5nStripped.pdb |
Trajectory | 1j5naligned.mdcrd |
Water | No |
_id | NAFlex_1j5n_CG |
dataset | Array |
date | 0.00000000 1720396800 |
description | DNA-B Duplex Naked |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Dna |
rev_sequence | GGGGTGATTGTTCAG |
saltConcentration | - |
sequence | CTGAACAATCACCCC |
soluteAtoms | 30 |
soluteCharge | - |
soluteResidues | 30 |
solventAtoms | - |
solventResidues | - |
time | 1,000 |
totalAtoms | 30 |
totalCharge | - |
totalIons | - |
totalResidues | 30 |