From: Neelanjana Sengupta (senguptan_at_gmail.com)
Date: Sun Nov 20 2011 - 22:14:15 CST
Dear NAMD experts,
I need a clarification about an Adaptive Biasing Force (ABF) parameter in
Due to large fluctuations of the biasing force, the *fullSamples* option
(default 200 steps) is used to obtain accurate estimate of the reaction
coordinate before applying the bias.
However, is this applied only the very first time, or at each restart step?
(ie. if someone uses the .restart.colvar files, etc to continue another
calculation, will fullSamples be applied again)?
Thanks and regards,
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