[gmx-users] Select atoms in a residue

ABEL Stephane 175950 Stephane.ABEL at cea.fr
Tue Sep 3 14:57:25 CEST 2013

Hello all, 

A Quick question below: 

My peptide contains one trp, and i want to select only the atoms that form the the indol ring. I would like a portable script for others systems that contain also a peptide with one Trp residue. So I am not interesting to select the corresponding atoms by their numbers in the pdb/gro files 

The atom name in the indol group are  aCG | aCD1 | aHD1 | aCD2 | aCE3 | aHE3 | aCZ3 | aHZ3 | aCH2 | aHH2 | aCZ2 | aHZ2 | aCE2 | aNE1 | aHE1

Can you help me ? 



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