**From:** Jerome Henin (*jhenin_at_cmm.chem.upenn.edu*)

**Date:** Tue Nov 10 2009 - 10:52:34 CST

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Hi,

If you are talking about the standard deviation for the free energy

derivative, it is not available directly. The reason for that is, that

quantity is not useful on its own, but only within a somewhat complex

error analysis that should include time correlations. Hence, such an

analysis requires the time series of the system force (or

instantaneous colvar force, or whatever you call it). That quantity

will be output if you include the outputSystemForce keyword in your

colvar blocks.

http://www.ks.uiuc.edu/Research/namd/2.7b1/ug/node48.html

Best,

Jerome

2009/11/10 Hugh Martin <hughtendo_at_gmail.com>:

*> Hello,
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*>
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*> I'm using NAMD2.7b1 and the collective variables implementation in order to
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*> perform ABF simulations. I was wondering if there is a way to output the
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*> standard deviation of each point (bin). I see that there is an option for
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*> "runAve" which calculates the standard deviation of the running average, but
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*> I don't see an option for the standard deviation of each point/bin. Is this
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*> possible?
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*>
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*> Many thanks,
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*>
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*> Hugh
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*>
*

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