VMD-L Mailing List

From: Jessica Padden (jessica.padden_at_strath.ac.uk)
Date: Thu Mar 07 2013 - 13:05:49 CST

Hi,

I have a 12 amino acid peptide attached to a protein (residues 13 to 229) and I'm needing to measure the distance from the centre of mass of each residue (1-12) to every individual atom in the rest of the molecule for every single frame. anyone any clue as to how i'd go about this? Assuming it'll be a loop for the atoms and a loop for the frames but after that I'm stumped

Cheers