[gmx-developers] Printing the resname in g_sas

Ilya Chorny ichorny at gmail.com
Tue Jul 14 08:50:34 CEST 2009


I would like g_sas to print the resname in addition to the residue number
for the -or output.
How do I print the residue name?

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.

Thanks,

Ilya



-- 
Ilya Chorny Ph.D.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20090713/9f30c97b/attachment.html>


More information about the gromacs.org_gmx-developers mailing list