Steered MD, RaTG13 RBD closing
OpenVito Genna;Matteo Castelli;Miłosz Wieczór;Adam Hospital;Modesto Orozco;
MD-A001TM
replica 1NPT
Trajectory
52,113 atomsFull system
- Length
- 200.01 ns @ 2 fs
- Frames
- 20,001 / 10 ps
- Temperature
- 300 K
Loading structure.
Analysis
Parameters
- Length
- 200.01 ns@ 2 fs = 100,005,000 steps
- Frames
- 20,0011 frame every 10 ps
- Ensemble