[AMBER] Distance between residues: Too many iteration in routine

From: Hocine EL KHAOUDI ENYOURY via AMBER <amber.ambermd.org>
Date: Thu, 2 Mar 2023 19:19:13 +0100

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
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 02 2023 - 10:30:03 PST