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Data summary for simulations of T4 Lysozyme L99A with p-xylene from alternate starting conformations.
| Method [Starting Conformation] |
Acceptance Rate |
# of Trans | Time (ns) | FEs (106) | Trans/ 106 FEs |
|---|---|---|---|---|---|
| MD [T0] Blues [T0] |
n/a 0.11% |
15 91 |
60.0 27.7 |
30.0 23.9 |
0.5 3.8 |
| MD [T250] Blues [T250] |
n/a 0.04% |
0 47 |
60.0 25.3 |
30.0 22.7 |
0.0 2.1 |
| MD [T1000] Blues [T1000] |
n/a 0.08% |
0 30 |
60.0 24.8 |
30.0 22.5 |
0.0 1.3 |
