Sequence 1: | AAAAAAAAAA |
Sequence 2: | TTTTTTTTTT |
Sequence 3: | AAAAAAAAAA |
Sequence 4: | AAAAAAAAAA |
Type | DNA |
SubType | Anti parallel triplex AAT |
Chains | triplex |
Pdb | - |
Ligands | no |
AdditionalIons | No |
AdditionalMolecules | no |
AdditionalSolvent | No |
Author | A.P. |
Chains | triplex |
Comments | /orozco/scratch/parmBSC1/Alberto2/apsaat10 |
CounterIons | Na+ |
Format | mdcrd |
FrameStep | 1ps |
Frames | 240000 |
IonicConcentration | Electroneutrality |
IonsParameters | Dang |
Ligands | no |
NucType | DNA |
PDB | no |
Parts | ions + DNA |
RMSd_avg | 13.070 |
RMSd_stdev | 6.939 |
Rgyr_avg | 16.109 |
Rgyr_stdev | 2.796 |
SASA_avg | 5720.014 |
SASA_stdev | 599.453 |
SubType | Anti parallel triplex AAT |
Temperature | 300K |
Topology | apsaat10.dry.top |
Trajectory | apsaat10.trj.gz |
Water | TIP3P |
_id | NAFlex_apsAAT |
authors | Ivan Ivani, Pablo D. Dans, Agnès Noy, Alberto Pérez, Ignacio Faustino, Adam Hospital, Jürgen Walther, Pau Andrio, Ramon Goñi, Alexandra Balaceanu, Guillem Portella, Federica Battistini, Josep Lluís Gelpí, Carlos González, Michele Vendruscolo, Charles A. Laughton, Sarah A. Harris, David A. Case and Modesto Orozco |
boxAngle | 109.471219 |
boxX | 61.9724552 |
boxY | 61.9724552 |
boxZ | 61.9724552 |
dataset | Array |
date | 0.00000000 1430265600 |
description | DNA Triplex Naked ParmBSC1 TIP3P Electroneutral |
forceField | parmBSC1 |
ionsModel | - |
moleculeType | Dna |
rev-sequence | - |
rev_sequence | AAAAAAAAAA |
saltConcentration | - |
sequence | AAAAAAAAAA | TTTTTTTTTT | AAAAAAAAAA | AAAAAAAAAA |
sequenceMulti | Array |
soluteAtoms | 957 |
soluteCharge | -27 |
soluteResidues | 30 |
solventAtoms | - |
solventResidues | - |
time | 240 |
totalAtoms | 957 |
totalCharge | -27 |
totalIons | - |
totalResidues | 30 |