[gmx-users] Rerun same trajectory - Pulling

[Justin Lemkul]

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

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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