Entry: NAFlex_muGGGC
Nucleic Sequence:
| Sequence | GCGCGGGCGGGCGGGCGC |
| Rev. Sequence | GCGCCCGCCCGCCCGCGC |
| Type | DNA |
| SubType | B |
| Chains | duplex |
| Pdb | - |
| Ligands | No |
MD Simulation >> (Click to expand/shrink)
| Force Field | parmBSC1 |
| Simulated Time | 1,000 ns |
| Time Step | 1 ps |
| Parts | DNA+ions |
| Temperature | 298K |
| Water Model | SPCE |
| Additional Solvent | No |
| Counter Ions | K+Cl- |
| Ionic Concentration | 0.15M |
| Additional Ions | No |
| Additional Molecules | No |
| Ions Parameters | Dang |
| RMSd | 3.246 (0.678) Å  |
| RMSf |  |
Unified Molecular Modeling (UMM) Metadata
(Click to see full UMM)
(Click to see full UMM)
| AdditionalIons | No |
| AdditionalMolecules | No |
| AdditionalSolvent | No |
| Author | P.D. |
| Chains | duplex |
| Comments | muABC |
| CounterIons | K+Cl- |
| Format | mdcrd |
| FrameStep | 1 ps |
| Frames | 1000000 |
| IonicConcentration | 0.15M |
| IonsParameters | Dang |
| Ligands | No |
| NucType | DNA |
| PDB | No |
| Parts | DNA+ions |
| RMSd_avg | 3.246 |
| RMSd_stdev | 0.678 |
| Rgyr_avg | 18.235 |
| Rgyr_stdev | 0.431 |
| SASA_avg | 6342.894 |
| SASA_stdev | 112.667 |
| SubType | B |
| Temperature | 298K |
| Topology | TCGA_nowat.prmtop |
| Trajectory | TCGA_last250ns.trj |
| Water | SPCE |
| _id | NAFlex_muGGGC |
| boxAngle | 109.471219 |
| boxX | 80.7287913 |
| boxY | 80.7287913 |
| boxZ | 80.7287913 |
| dataset | Array |
| date | 0.00000000 1462320000 |
| description | DNA-B Duplex Naked ParmBSC0 SPC/E AddedSalt |
| forceField | parmBSC1 |
| ionsModel | - |
| moleculeType | Dna |
| rev_sequence | GCGCCCGCCCGCCCGCGC |
| saltConcentration | - |
| sequence | GCGCGGGCGGGCGGGCGC |
| soluteAtoms | 1132 |
| soluteCharge | -34 |
| soluteResidues | 36 |
| solventAtoms | - |
| solventResidues | - |
| time | 1,000 |
| totalAtoms | 1132 |
| totalCharge | -34 |
| totalIons | - |
| totalResidues | 36 |
