| Simulation Metadata (UMM) |
| AdditionalIons | Lys |
| AdditionalMolecules | No |
| AdditionalSolvent | No |
| Author | F.B. |
| Chains | Multiple duplex |
| Comments | LysArg project |
| CounterIons | Na+Cl- |
| Format | mdcrd |
| FrameStep | 20 ps |
| Frames | 250000 |
| IonicConcentration | 0.5M |
| IonsParameters | Joung&Cheatham |
| Ligands | No |
| NucType | DNA |
| PDB | NONE |
| Parts | DNA+ions |
| RMSd_avg | 103.835 |
| RMSd_stdev | 8.590 |
| Rgyr_avg | 83.549 |
| Rgyr_stdev | 6.698 |
| SASA_avg | 30148.174 |
| SASA_stdev | 2184.893 |
| SubType | B |
| Temperature | 298K |
| Topology | mdp_first_frame_nowat_tleap.top |
| Trajectory | traj_nowat.trj |
| Water | TIP3P |
| _id | NAFlex_GC-rich_crowd_Lys_500mM |
| dataset | Array |
| date | 0.00000000 1638316800 |
| description | DNA-B Duplex Naked TIP3P AddedSalt |
| forceField | parmBSC1 |
| ionsModel | - |
| moleculeType | Dna |
| rev_sequence | GCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTG |
| saltConcentration | - |
| sequence | CACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGCGCACCGGGCGTGCACGCCCGGTGC |
| soluteAtoms | 11340 |
| soluteCharge | 11340 |
| soluteResidues | 360 |
| solventAtoms | - |
| solventResidues | - |
| time | 5,000 |
| totalAtoms | 11340 |
| totalCharge | 11340 |
| totalIons | - |
| totalResidues | 360 |
