Date: Thu Aug 25 2022 - 17:15:07 CDT

Thanks. Can I do it in VMD (adding an additional atom to trajectory)? The trajectory file was generated by CHARMM.

From: Axel Kohlmeyer <>
Sent: Wednesday, August 24, 2022 5:17 PM
Cc: Vmd l <>
Subject: Re: vmd-l: rdf with respect to a specific point


The way to do this is to add this position as an additional atom to your trajectory.

Dr. Axel Kohlmeyer <>;!!DZ3fjg!7MqqskhhQnGOu8xlZJOJJDcMdZvpFJ9Kinw8b65pvQ21puziuM8rpAnvafasbvFb-w5LgitdREkZPwSWx5urgWxd0YP7$  
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste, Italy
On Wed, Aug 24, 2022, 15:02 < <> > wrote:
Dear all,
I have a DCD file and I would like to perform rdf analysis around a specific xyz point (which is not occupied by any atom). Can I use the g(r) plugin for the purpose? It seems in the 
plugin I need specify two selections but how to specify this empty position? If cannot do it with g(r), what’s other choice in VMD?
Thank you very much.
Michael M.