From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Thu Aug 29 2013 - 12:06:49 CDT
To be precise, the ramp is linear in the number of samples in the bin, and starts at half of fullSamples.
If FS is the value of fullSamples, the current number of samples is n, and the full biasing force is F, the force that is actually applied is:
n < FS/2 : 0
FS/2 < n < FS : (n - FS/2) / (FS/2) * F
n > FS : F
----- Original Message -----
> Good day,
> During an ABF run, I understand that once the minimum number of
> samples has been achieved for a given bin the biasing forces are
> added following a linear ramp. During this ramp is the force applied
> in discrete increments of a fixed value per time-step or does the
> applied quantity vary? If so, what is this increment or is there a
> procedure to determine how much force is added per step in the
> linear ramp?
> Many thanks for the support.
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:23:38 CST