Hi,
I’ve tried with geom, but it seems that for atoms and not for residues.
Bests
Hocine
Le 2 mars 2023 à 19:23 +0100, He, Amy <he.1768.buckeyemail.osu.edu>, a écrit :
> Hi,
>
> The “geom” option of the “distance” command allows you to use the geometric centers.
> https://amberhub.chpc.utah.edu/distance/
>
> Bests,
> Amy
>
>
> --
> Amy He
> Chemistry Graduate Teaching Assistant
> Hadad Research Group
> Ohio State University
> 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$
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Mar 02 2023 - 10:30:04 PST
