[gmx-users] Rerun same trajectory - Pulling

Justin Lemkul jalemkul at vt.edu
Tue Dec 25 15:07:39 CET 2012

On 12/25/12 8:53 AM, Steven Neumann wrote:
> The other option would be to decrease force constant in two windows in
> between of which is the gap. Then histograms for them willl be more
> wide and they will overlap. Is that possible to combine windows using
> WHAM with different force constants?

Yes, you can use different force constants.  This topic has been discussed at 
length in previous posts.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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