SlimMD Database
SARS-CoV2 helicase - holo complex 3 replica's, nsp13 1μs
Category: SARS-CoV-2
Downloaded: 577
| Total length of simulation: | 3 replica (2 x 1.5 microseconds + 1 x 0.5 microseconds) | Simulation software: | GROMACS 2018 |
| Time between snapshots: | 1 nanosecond | MD forcefield: | Amber ff99+ parmbsc0+chioL3 force field for ssRNA and Amber14SB10 for the helicase, ZAFF |
| 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 |
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