Does it mean it is correct for F_G96BONDS but wrong for F_BONDS?<br><br>Roland<br><br><div class="gmail_quote">On Wed, Sep 16, 2009 at 1:32 AM, <span dir="ltr"><<a href="mailto:hess@sbc.su.se">hess@sbc.su.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">The (ridiculous) G96 bond type is harmonic in<br>
and stores the equilibrium distance squared.<br>
<br>
Berk<br>
<div><div></div><div class="h5"><br>
> Hi,<br>
><br>
> why is the sqrt in line 215 of gmxcheck.c:<br>
> b0 = sqrt(idef->iparams[type].harmonic.rA);<br>
><br>
> Is this a bug or something I don't understand?<br>
><br>
> Roland<br>
><br>
> --<br>
> ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov" target="_blank">cmb.ornl.gov</a><br>
> 865-241-1537, ORNL PO BOX 2008 MS6309<br>
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</blockquote></div><br><br clear="all"><br>-- <br>ORNL/UT Center for Molecular Biophysics <a href="http://cmb.ornl.gov">cmb.ornl.gov</a><br>865-241-1537, ORNL PO BOX 2008 MS6309<br>