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 | 5000 |
IonicConcentration | 0.05M |
IonsParameters | - |
Ligands | No |
NucType | DNA |
PDB | 2UZK |
Parts | DNA+protein+ions |
RMSd_avg | 79.254 |
RMSd_stdev | 23.346 |
Rgyr_avg | 80.353 |
Rgyr_stdev | 21.012 |
SASA_avg | 11740.935 |
SASA_stdev | 669.028 |
SubType | B |
Temperature | 300K |
Topology | FOXO3_orig_minim_nowater.gro |
Trajectory | FOXO3_rep2_mdprod_sample.xtc |
Water | SPCE |
_id | NAFlex_FOXO3_crystal_rep2 |
dataset | Array |
date | 0.00000000 1545264000 |
description | DNA-B Duplex Protein-Nuc SPC/E AddedSalt |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Dna |
rev_sequence | GCGTTGTTTACATAGTC |
saltConcentration | - |
sequence | GACTATGTAAACAACGC |
soluteAtoms | 2620 |
soluteCharge | - |
soluteResidues | 131 |
solventAtoms | - |
solventResidues | - |
time | 50 |
totalAtoms | 2620 |
totalCharge | - |
totalIons | - |
totalResidues | 131 |