-- Amy He Chemistry Graduate Teaching Assistant Hadad Research Group Ohio State University he.1768.osu.edu<mailto:he.1768.osu.edu> From: Hocine EL KHAOUDI ENYOURY via AMBER <amber.ambermd.org> Date: Thursday, March 2, 2023 at 1:20 PM To: AMBER Mailing List <amber.ambermd.org> Subject: [AMBER] Distance between residues: Too many iteration in routine Dear amber community, I’m trying to determine the distance between 2 residues over time with the following script. parm protein.psf trajin protein.dcd rms first fit .CA distance abc :4 :19 out distance.dat noimage Is there any way to define a centre of mass for both residues and track the distance, without having to do it with atoms? Thanks in advance! Hocine _______________________________________________ AMBER mailing list AMBER.ambermd.org https://urldefense.com/v3/__http://lists.ambermd.org/mailman/listinfo/amber__;!!KGKeukY!3Ucq78H_USyA2uia2Cwjq8n6VuYVFgD6mMxBGbP2PLraUp8fkXP9oBRdCFU6SvWAohWROJVz1weoviuJtAEKfEZmkZs$<https://urldefense.com/v3/__http:/lists.ambermd.org/mailman/listinfo/amber__;!!KGKeukY!3Ucq78H_USyA2uia2Cwjq8n6VuYVFgD6mMxBGbP2PLraUp8fkXP9oBRdCFU6SvWAohWROJVz1weoviuJtAEKfEZmkZs$> _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Thu Mar 02 2023 - 10:30:02 PST