Simulation Metadata (UMM) |
AdditionalIons | No |
AdditionalMolecules | No |
AdditionalSolvent | No |
Author | P.D. |
Chains | duplex |
Comments | miniABC project, NaK collection |
CounterIons | K+,Na+ |
Format | crd |
FrameStep | 1 ps |
Frames | 1000000 |
IonicConcentration | Electroneutrality |
IonsParameters | Dang |
Ligands | No |
NucType | DNA |
PDB | NONE |
Parts | DNA+ions |
SubType | B |
Temperature | 298K |
Topology | miniABC_5.NaK.ions.top |
Trajectory | miniABC_5.NaK.ions.1000ns.trj |
Water | SPC/E |
_id | NAFlex_miniABC_NaK_5 |
boxAngle | 109.471219 |
boxX | 75.099 |
boxY | 75.099 |
boxZ | 75.099 |
dataset | Array |
date | 0.00000000 1457740800 |
description | B-DNA Duplex Naked ParmBSC1 SPC/E 0.15 mol NaCl/KCl 50%/50% |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Dna |
rev_sequence | GCGTAGTGTCCCCAATGC |
saltConcentration | - |
sequence | GCATTGGGGACACTACGC |
soluteAtoms | 1139 |
soluteCharge | -34 |
soluteResidues | 36 |
solventAtoms | - |
solventResidues | - |
time | 1,000 |
totalAtoms | 1139 |
totalCharge | -34 |
totalIons | - |
totalResidues | 36 |