Hi,
You're not using the 'solventdonor'/'solventacceptor' keywords. As
stated in the Amber 14 manual in 28.10.24 'hbond':
"If masks are specified with the solventdonor and/or solventacceptor
keywords, solute-solvent hydrogen bonds
will also be tracked."
Hope this helps,
-Dan
On Wed, Sep 10, 2014 at 5:27 AM, Indrajit Deb <biky2004indra.gmail.com> wrote:
> Dear Amber Users,
>
> I amm not getting any solute-solvent and bridge information. My command was
> as follows.
>
> hbond out hbond_all.dat :1-4031 angle 120 dist 3.5 series avgout
> hbond_avg_all.dat printatomnum solvout hbond_solv_all.dat bridgeout
> hbond_bridge_all.dat
>
> the ouput file is only writing solute-solute (UU) hbond information.
>
> Please suggest.
>
> ----indrajit
>
>
>
>
> ---------------------------------------------------------------------
> Indrajit Deb
> Kolkata, India.
> Mob: +919239202278
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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 Wed Sep 10 2014 - 07:00:03 PDT
