All-atom molecular dynamics simulations of SARS-CoV-2 envelope protein E in the monomeric form, C4 mix
OpenAlexander Kuzmin;Philipp Orekhov;Roman Astashkin;Valentin Gordeliy;Ivan Gushchin;
MD-A001T0
replica 3NPT
Trajectory
51,495 atomsFull system
- Length
- 15,003 ns
- Frames
- 5,001 / 3,000 ps
- Temperature
- 310 K
Loading structure.
Analysis
Parameters
- Length
- 15,003 ns
- Frames
- 5,0011 frame every 3,000 ps
- Ensemble
- NPTconstant number of particles, pressure and temperature