Hi,
Unfortunately no - the bridging code in hbond is currently set up for a
single water only. You could possibly get such information by putting water
in a solute mask (there was some mail regarding exactly this very recently)
but be warned this will also generate a ton of info you provaby don't
want/need (like water-water-water bridges).
-Dan
On Wednesday, July 1, 2015, Vlad Cojocaru <vlad.cojocaru.mpi-muenster.mpg.de>
wrote:
> Dear all,
>
> I am looking into using the bridge option of the hbond command in ptraj
> to look at water mediated contacts. However, if I got it correctly, the
> bridge option only outputs cases in which one water bridges two solute
> residues. Is there a way get bridges formed by more than one water (
> water networks between solute residues).
>
> Thanks for any hints on this
>
> Best wishes
> Vlad
>
> --
> Dr. Vlad Cojocaru
> Computational Structural Biology Laboratory
> Department of Cell and Developmental Biology
> Max Planck Institute for Molecular Biomedicine
> Röntgenstrasse 20, 48149 Münster, Germany
> Tel: +49-251-70365-324; Fax: +49-251-70365-399
> Email: vlad.cojocaru[at]mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/43241/cojocaru
>
>
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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 Thu Jul 02 2015 - 10:00:04 PDT
