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 A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441

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