[gmx-users] Selection of residues in one of the chains of heterodimer

Raag Saluja saluja.raag at gmail.com
Mon Oct 29 09:46:10 CET 2018


I simulated a heterodimer and converted the md.gro file into a pdb file.
This pdb file I visualised in vmd. I wish to select residues (first 50,
then next 50 and so on), so that I can correlate the structure with the
graphs obtained by structure analysis.
If I give the command resid 1 to 50 and protein, the first 50 residues of
both chains are selected.
If I give the command resid 1 to 50 and protein and chain A, it works with
the original file obtained from protein data bank. However, with the
simulated protein’s pdb file, the area just gets deselected.
Can you please help?
Thank you in advance!

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