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The variance of the DeltaF_neq estimator (and computation time per protocol) increases if the protocol length M is too large. If M is too small (i.e. haven't reached nonequilibrium steady state), our DeltaF_neq estimates are more biased.
Currently, I set M "by eye." I'll want to add an automatic way to select M.
The text was updated successfully, but these errors were encountered:
The variance of the DeltaF_neq estimator (and computation time per protocol) increases if the protocol length
M
is too large. IfM
is too small (i.e. haven't reached nonequilibrium steady state), our DeltaF_neq estimates are more biased.Currently, I set
M
"by eye." I'll want to add an automatic way to selectM
.The text was updated successfully, but these errors were encountered: