Simulation Metadata (UMM) |
AdditionalIons | No |
AdditionalMolecules | No |
AdditionalSolvent | No |
Author | A.M. |
Chains | duplex |
Comments | N/A |
CounterIons | Na+Cl- |
Format | xtc |
FrameStep | 10 ps |
Frames | 50000 |
IonicConcentration | 0.05M |
IonsParameters | N/A |
Ligands | No |
NucType | DNA |
PDB | 2UZK |
Parts | DNA+protein+ions |
RMSd_avg | 1.695 |
RMSd_stdev | 0.286 |
Rgyr_avg | 17.755 |
Rgyr_stdev | 0.330 |
SASA_avg | 6146.712 |
SASA_stdev | 94.969 |
SubType | B |
Temperature | 300K |
Topology | FOXO3_orig_minim_nowater.gro |
Trajectory | FOXO3_rep0_mdprod_sample.xtc |
Water | SPCE |
_id | NAFlex_FOXO3_crystal_rep0 |
dataset | Array |
date | 0.00000000 1541376000 |
description | DNA-B Duplex Protein-Nuc SPC/E AddedSalt |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Dna |
rev_sequence | GCGTTGTTTACATAGTC |
saltConcentration | - |
sequence | GACTATGTAAACAACGC |
soluteAtoms | 1079 |
soluteCharge | - |
soluteResidues | 34 |
solventAtoms | - |
solventResidues | - |
time | 500 |
totalAtoms | 1079 |
totalCharge | - |
totalIons | - |
totalResidues | 34 |