Simulation Metadata (UMM) |
AdditionalIons | KCl |
AdditionalMolecules | No |
AdditionalSolvent | No |
Author | F.B. |
Chains | hairpin |
Comments | - |
CounterIons | K+ |
Format | nc |
FrameStep | 20 ps |
Frames | 1000000 |
IonicConcentration | 0.15M |
IonsParameters | Dang |
Ligands | No |
NucType | RNA |
PDB | NONE |
Parts | RNA+protein_Tirr |
SubType | A |
Temperature | 298K |
Topology | mon3_hairpinl_nowat.NAFlex.prmtop |
Trajectory | mon3_hairpinlmd_reimage.5000.nc |
Water | TIP3P |
_id | NAFlex_Tirr_Dimer_RNA_hairpin |
dataset | Array |
date | 0.00000000 1662336000 |
description | RNA-A Protein-Nuc TIP3P AddedSalt |
forceField | parmBSC0+OL3 |
ionsModel | - |
moleculeType | Prot-Rna |
rev_sequence | - |
saltConcentration | - |
sequence | GGACAAGAUGCCUUAUGUGGACUUCACCACAUAAGGCAUCUUGUCC |
soluteAtoms | 7866 |
soluteCharge | -37 |
soluteResidues | 449 |
solventAtoms | - |
solventResidues | - |
time | 1,000 |
totalAtoms | 7866 |
totalCharge | -37 |
totalIons | - |
totalResidues | 449 |