[gmx-developers] template.c - calling residue name by atom number

Alan Dodd anoddlad at yahoo.com
Tue Mar 14 18:22:23 CET 2006

I'm attempting to convert some pdb-parsing scripts
I've made to read gromacs trajectory formats using
template.c.  My C skills are not too hot, so I
apologise if this appears a very simple question.  How
can you call the name of a residue containing an atom
by the atom number, as opposed to by residue number? 
Using *(top.atoms.resname[n]) unfortunately appears to
do the latter.
Thankyou for your time.

Alan Dodd
University of Bristol

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