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 |