[gmx-users] Re: g_analyze

Justin Lemkul jalemkul at vt.edu
Mon Nov 11 02:35:14 CET 2013



On 11/10/13 8:30 PM, bharat gupta wrote:
> Thanks for your reply. I was missing the scientific notation part. Now
> everything is fine.
>
> Regarding trjorder, it doesn't measure h-bonds but gives the water nearest
> to protein.
>

I wouldn't try to draw any sort of comparison between the output of trjorder and 
g_hbond.  If you want to measure H-bonds, there's only one tool for that.

-Justin

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Justin A. Lemkul, Ph.D.
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