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.hernan...@chemie.uni-hamburg.de
office: Grindelallee 117, room 250c
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