Total length of simulation: | 5 replica of 1 microsecond each | Simulation software: | NAMD 2.13 |
Time between snapshots: | 1 nanosecond | MD forcefield: | CHARMM36 |
File formats: | Topology: pdb Trajectory: dcd | ||
Simulation details: | Run in 150mM K+/Cl-, 300K, TIP3P water. | ||
Trajectory donated by: | SARS-CoV2 helicase consortium (SCHC) | ||
Citations: | bioRxiv 2020.11.03.366609; doi: https://doi.org/10.1101/2020.11.03.366609 Details of SCHC http://www.hecbiosim.ac.uk/covid-19-alliance |