Re: [gmx-users] Regarding indexing the atom labelled same in peptide

Hi, The "1" selects the first index group, which is the whole peptide. If you want to select the first residue, you have to use some other syntax. Mark On Tue, Aug 22, 2017 at 6:50 PM Dilip H N wrote: > Hello, > I have a Diglycine peptide in .gro file as:- > 1GLY

[gmx-users] Regarding indexing the atom labelled same in peptide

Hello, I have a Diglycine peptide in .gro file as:- 1GLY N1 1.312 0.940 1.100 0.5173 0.1852 0.2665 1GLY H12 1.375 1.015 1.064 0.3308 -0.2009 -0.8897 1GLY H23 1.376 0.860 1.115 2.0625 0.7372 -2.9245 1GLY H34 1.242 0.907 1.031 0.2385