Charge correction: longer simulations of CDK2?

[hannahbaumann]

We ran 20ns of the CDK2 transformations with explicit charge correction

1. Is that long enough?
2. Should we run more replicas?
3. We should also run longer non-charge corrected simulations to see if the difference in results makes sense.

[hannahbaumann]

Running 30ns CDK2 explicit charge correction = True

[hannahbaumann]

Running 20ns CDK2 explicit charge correction = False (openfe 0.14)