[gmx-users] Hydrogen bonds with version 3.3.1

[mcdonna]

----- Original Message -----
From: Gianluca Interlandi <gianluca at u.washington.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Tuesday, May 02, 2006 1:32 PM
Subject: Re: [gmx-users] Hydrogen bonds with version 3.3.1


> > > > The hbond program is rather complex, but the hbond criterion itself
is not
> > > > (but note that the definition of the angle has changed from 3.2.1 to
3.3,
> > > > from
> > > > AHD to ADH).
> > >
> > > This hasn't been clear to me as the online documentation says DHA:
> > >
> > > -a  real  30  Cutoff angle (degrees, Donor - Hydrogen - Acceptor)
> >
> > in that case you're running an old version of gromacs. Try
> > which g_hbond
>
> I'm using version 3.3.1 (gromacs-3.3.1-1.i386.rpm). I was refering to the
> online documentation:
>
> http://www.gromacs.org/documentation/reference_3.3/online/g_hbond.html
>
> Gianluca
>
> -----------------------------------------------------
> Dr. Gianluca Interlandi gianluca at u.washington.edu
>                     +1 (206) 685 4432
>                     +1 (206) 714 4303
>                     http://biocroma.unizh.ch/gianluca/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------
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