[gmx-users] Help with gmx select

[Yasser Almeida Hernández]

Hello,

I want to use gmx select to get a list of protein residues that interact 
with PO4 beads (CG) in a bilayer: The command I am using is:

gmx select -s system.gro -f traj.xtc -oi contacting_residues_DOPG.dat 
-resnr number -n PO4_index_1.ndx -select 'group Protein and same residue 
as within 0.6 of (group PO4_DOPG_upper or group PO4_DOPG_lower)'

But it returns the list of all atoms numbers of every interacting 
residue. I want ONLY the residue number.

Any idea?

Thanks in advance

Yasser


-- 
Yasser Almeida Hernández
PhD student
Institute of Biochemistry and Molecular Biology
Department of Chemistry
University of Hamburg
Martin-Luther-King-Platz 6
20146 Hamburg
Germany
+49 40 42838 2845
yasser.almeida.hernandez at chemie.uni-hamburg.de
office: Grindelallee 117, room 250c