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 | 2.145 |
RMSd_stdev | 0.516 |
Rgyr_avg | 16.446 |
Rgyr_stdev | 0.510 |
SASA_avg | 6468.169 |
SASA_stdev | 98.216 |
SubType | A |
Temperature | 298K |
Topology | GCGUUAGAUUAAAAUUGC.dry.parmtop |
Trajectory | GCGUUAGAUUAAAAUUGC.dry.5000.nc |
Water | TIP3P |
_id | NAFlex_RNA_miniABC_KCl_9 |
boxAngle | 109.471219 |
boxX | 82.5151762 |
boxY | 82.5151762 |
boxZ | 82.5151762 |
dataset | Array |
date | 0.00000000 1662422400 |
description | RNA-A Duplex Naked TIP3P AddedSalt |
forceField | parmBSC0+OL3 |
ionsModel | - |
moleculeType | Rna |
rev_sequence | GCAAUUUUAAUCUAACGC |
saltConcentration | - |
sequence | GCGUUAGAUUAAAAUUGC |
soluteAtoms | 1144 |
soluteCharge | -34 |
soluteResidues | 36 |
solventAtoms | - |
solventResidues | - |
time | 1,000 |
totalAtoms | 1144 |
totalCharge | -34 |
totalIons | - |
totalResidues | 36 |