ABF Not Sampling Whole Window

From: Ethan Croitoru (ecroitoru1_at_gmail.com)
Date: Thu Sep 03 2020 - 18:35:15 CDT


I am running ABF to calculate potential mean force between two
transmembrane alpha helices in a membrane, using this tutorial (
using a coarse-grained martini system. In one window I am having sampling
issues, where there are 0 samples from the last 3/4th of the bins, but all
my other windows have fine sampling. I ran 6 subsequent jobs in that
window, and sampling increased up to the third run, but stayed the same for
the last three runs. I was wondering what I can do to make sure that the
whole window gets sampling, since running more runs doesn't seem to be
helping anymore.

Thanks in advance,

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