SARS-CoV2 helicase - holo complex, nsp13 1μs

Category: SARS-CoV-2
Downloaded: 344

 

Total length of simulation:  1 microsecond   Simulation software: AMBER18 
Time between snapshots: 1 nanosecond   MD forcefield: Amber ff14 SB, Zaff, ff99OL3 force field for the RNA 
File formats: Topology: pdb Trajectory: dcd 
Simulation details: Run in 140mM K+/Cl-, 300K, TIP3P water. 
Trajectory donated by: SARS-CoV2 helicase consortium (SCHC) 
Citations:

bioRxiv 2020.11.03.366609; doi: https://doi.org/10.1101/020.11.03.366609

Details of SCHC http://www.hecbiosim.ac.uk/covid-19-alliance