SARS-CoV2 helicase, nsp13 1μs

Category: SARS-CoV-2
Downloaded: 459

 

Total length of simulation:  1 microsecond  Simulation software:  AMBER18
Time between snapshots: 1 nanosecond  MD forcefield:  Amber ff14 SB, Zaff
File formats: Topology: Amber7 parm. Trajectory: Amber Coordinates (with no periodic box). 
Simulation details: Run in 140mM K+/Cl-, 300K, TIP3P water.
Trajectory donated by: Sarah Harris from the SARS-CoV2 helicase consortium (SCHC) 
Citations:

Letter from international simulation community for data sharing https://pubs.acs.org/doi/10.1021/acs.jcim.0c00319

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