Simulation Metadata (UMM) |
AdditionalIons | Mg2+ |
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 | 1VTN |
Parts | DNA+protein+ions |
RMSd_avg | 0.000 |
RMSd_stdev | 0.000 |
Rgyr_avg | 0.000 |
Rgyr_stdev | 0.000 |
SASA_avg | 0.000 |
SASA_stdev | 0.000 |
SubType | B |
Temperature | 300K |
Topology | FOXA3_rep0_disre_mdprod_step1_nowater.gro |
Trajectory | FOXA3_rep5_disre_mdprod_sample.xtc |
Water | SPCE |
_id | NAFlex_FOXA3_crystal_rep5 |
dataset | Array |
date | 0.00000000 1545091200 |
description | DNA-B Duplex Protein-Nuc SPC/E AddedSalt |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Prot |
rev_sequence | GCGTGGTTGACTTAGTC |
saltConcentration | - |
sequence | GACTAAGTCAACCACGC |
soluteAtoms | 2762 |
soluteCharge | - |
soluteResidues | 137 |
solventAtoms | - |
solventResidues | - |
time | 50 |
totalAtoms | 2762 |
totalCharge | - |
totalIons | - |
totalResidues | 137 |