| Simulation Metadata (UMM) |
| AdditionalIons | KCl |
| AdditionalMolecules | No |
| AdditionalSolvent | No |
| Author | A.H. |
| Chains | duplex |
| Comments | miniABC project, RNA collection |
| CounterIons | K+ |
| Format | nc |
| FrameStep | 20 ps |
| Frames | 1000000 |
| IonicConcentration | 0.15 M |
| IonsParameters | Dang |
| Ligands | No |
| NucType | RNA |
| PDB | NONE |
| Parts | RNA+ions |
| RMSd_avg | 4.060 |
| RMSd_stdev | 0.674 |
| Rgyr_avg | 16.630 |
| Rgyr_stdev | 0.539 |
| SASA_avg | 6560.591 |
| SASA_stdev | 99.684 |
| SubType | A |
| Temperature | 298K |
| Topology | GCUGGCAUGAAGCGACGC.dry.parmtop |
| Trajectory | GCUGGCAUGAAGCGACGC.dry.5000.nc |
| Water | TIP3P |
| _id | NAFlex_RNA_miniABC_KCl_12 |
| boxAngle | 109.471219 |
| boxX | 82.5337432 |
| boxY | 82.5337432 |
| boxZ | 82.5337432 |
| dataset | Array |
| date | 0.00000000 1662595200 |
| description | RNA-A Duplex Naked TIP3P AddedSalt |
| forceField | parmBSC0+OL3 |
| ionsModel | - |
| moleculeType | Rna |
| rev_sequence | GCGUCGCUUCAUGCCAGC |
| saltConcentration | - |
| sequence | GCUGGCAUGAAGCGACGC |
| soluteAtoms | 1156 |
| soluteCharge | -34 |
| soluteResidues | 36 |
| solventAtoms | - |
| solventResidues | - |
| time | 1,000 |
| totalAtoms | 1156 |
| totalCharge | -34 |
| totalIons | - |
| totalResidues | 36 |
