Yes, if I type g_hbond i get the default values, but there is no information why these values are so. I think these values come from experiments or calculations and so there would be probably an paper or so... I mean why is the default angle 30° and not 35° or 45° or else? Hope my question is know clearer.
Thomas > Message: 2 > Date: Mon, 03 Nov 2008 18:14:31 +0100 > From: "Xavier Periole" <[EMAIL PROTECTED]> > Subject: Re: [gmx-users] question about default parameter for g_hbond > To: Discussion list for GROMACS users <[email protected]> > Message-ID: <[EMAIL PROTECTED]> > Content-Type: text/plain;charset=iso-8859-15;format="flowed" > > On Mon, 3 Nov 2008 17:59:33 +0100 > Thomas Schlesier <[EMAIL PROTECTED]> wrote: > >> Hi all, >> does somebody know from where the default parameters for g_hbond (angle >> Acceptor-Hydrogen-Donor = 30? ; distance Acceptor-Donor = 0.35nm) are? >> I found nothing in the manual about that. >> > If you type g_hbond -h the default values are indicated. > >> Thomas >> _______________________________________________ >> gmx-users mailing list [email protected] >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [EMAIL PROTECTED] >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > ----------------------------------------------------- > XAvier Periole - PhD > > - Molecular Dynamics Group - > NMR and Computation > University of Groningen > The Netherlands > ----------------------------------------------------- >
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