Hi,
'Frac' will have a different range depending on if this is solute-solute or
solute-solvent output. The 'hbond' entry in the cpptraj section of the
amber 16 manual (page 589) has a good description of all output from the
'hbond' command. I suggest starting there.
Hope this helps,
-Dan
On Sunday, August 21, 2016, Saman Yousuf ali <saman.yousufali64.yahoo.com>
wrote:
> Dear All,Is it true that in cpptraj hydrogen bond analysis output file,
> fraction number (Frac) represents the occupancy of any protein-ligand/
> protein-protein atoms throughout MD?
>
> #Acceptor DonorH Donor
> Frames Frac AvgDist AvgAng
> ASP_392.OD1 TYR_370.HH TYR_370.OH 4954 0.9908
> 2.6587 167.4644
> ASN_142.O TYR_30.HH TYR_30.OH 4942
> 0.9884 2.6877 166.2786
>
> Thank you.
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Sun Aug 21 2016 - 06:00:04 PDT
