<div>Hi Carlo,</div><div><br></div><div>Thanks for reporting these issues! </div><div><br></div>I can't confirm the bug(s), but hopefully someone else will do that soon.<div><br></div><div>However, if can reliably reproduce the issues, you can go ahead and file a bug report in <a href="http://redmine.gromacs.org">redmine.gromacs.org</a>. Moreover, if you think you have a fix, contribution is fully open so you're welcome to submit the patch at <a href="http://gerrit.gromacs.org">gerrit.gromacs.org</a>.<br clear="all">
<br>Cheers,<br><div>--<br>Szilárd<br>
<br><br><div class="gmail_quote">On Thu, Oct 25, 2012 at 5:13 PM, Carlo Camilloni <span dir="ltr"><<a href="mailto:carlo.camilloni@gmail.com" target="_blank">carlo.camilloni@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Developers,<br>
<br>
sorry for all the email, I think I found another bug, in the function analyze_noe_equivalent<br>
the bug is related to the flag -equiv<br>
<br>
in the do … while cycle<br>
<br>
/* set index for matching atom */<br>
noe_index[j]=groupnr;<br>
/* skip matching atom */<br>
<br>
should be<br>
<br>
<br>
/* set index for matching atom */<br>
noe_index[i]=groupnr;<br>
/* skip matching atom */<br>
<br>
so, after the correction of the number of frames and the present one, the program seems to work well.<br>
<br>
best,<br>
Carlo<br>
<br>
p.s.: I am using gromacs-4.5.5<br>
<span class="HOEnZb"><font color="#888888"><br>
<br>
--<br>
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