I did, but its still not clear. <br><br><div class="gmail_quote">On Mon, Jul 13, 2009 at 11:57 PM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div><div></div><div class="h5">Ilya Chorny wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I would like g_sas to print the resname in addition to the residue number for the -or output. <br>
How do I print the residue name?<br>
<br>
g_sas has a t_atoms structure called atoms( i.e.t_atoms *atoms). &atoms[i].resname should print the residue name associated with atom i, correct. I can't seem to get it to work. I'm fairly new to editing gromacs code so I apologize for my naivety. <br>
</blockquote></div></div>
check include/types/atoms.h<br>
it is quite complicated unfortunately.<br>
<br>
<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
Thanks,<br>
<br>
Ilya<br>
<br>
<br>
<br>
-- <br>
Ilya Chorny Ph.D.<br>
<br>
<br></div>
------------------------------------------------------------------------<br>
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</blockquote>
<br>
<br>
-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.<br>
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</blockquote></div><br><br clear="all"><br>-- <br>Ilya Chorny Ph.D.<br><br>