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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?<br>
Hope my question is know clearer.<br>
<br>
Thomas<br>
<br>
<blockquote cite="mid:20081103232926.7BB6E244F9@struktbio205.bmc.uu.se"
type="cite">
<pre wrap="">Message: 2
Date: Mon, 03 Nov 2008 18:14:31 +0100
From: "Xavier Periole" <a class="moz-txt-link-rfc2396E" href="mailto:X.Periole@rug.nl"><X.Periole@rug.nl></a>
Subject: Re: [gmx-users] question about default parameter for g_hbond
To: Discussion list for GROMACS users <a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a>
Message-ID: <a class="moz-txt-link-rfc2396E" href="mailto:web-97817513@mail3.rug.nl"><web-97817513@mail3.rug.nl></a>
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On Mon, 3 Nov 2008 17:59:33 +0100
Thomas Schlesier <a class="moz-txt-link-rfc2396E" href="mailto:schlesi@uni-mainz.de"><schlesi@uni-mainz.de></a> wrote:
</pre>
<blockquote type="cite">
<pre wrap="">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.
</pre>
</blockquote>
<pre wrap=""><!---->If you type g_hbond -h the default values are indicated.
</pre>
<blockquote type="cite">
<pre wrap="">Thomas
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</pre>
</blockquote>
<pre wrap=""><!---->
-----------------------------------------------------
XAvier Periole - PhD
- Molecular Dynamics Group -
NMR and Computation
University of Groningen
The Netherlands
-----------------------------------------------------
</pre>
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