VMD-L Mailing List

From: Rameswar Bhattacharjee (rameswariacs_at_gmail.com)
Date: Tue Jun 16 2020 - 16:15:39 CDT

Thank you Axel for your response. I wanted to calculate center to center
RDF for two molecules. Basically, I want to see how molecules are arranged
in a solution. I am not sure if VMD has the plugin to do it.

On Tue, Jun 16, 2020 at 5:01 PM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> The g(r) is at its core an atomic property (assuming point particles to be
> more specific), so you will first have to define what you mean by a
> molecule-molecule g(r).
>
> Axel.
>
> On Tue, Jun 16, 2020 at 4:55 PM Rameswar Bhattacharjee <
> rameswariacs_at_gmail.com> wrote:
>
>> Dear All Users,
>> I want to see the Molecule-Molecule radial distribution
>> function instead of the standard atom-atom. I am using a lammps trajectory
>> and I want to see the molecule-molecule RDF along with the atom-atom. Is
>> there a plugin in VMD to do So? Any suggestion will be highly appreciated.
>> Thank you
>>
>> --
>> *Regards*
>> *Rameswar*
>>
>> *********************************************************************
>> *Dr. Rameswar Bhattacharjee*
>> Postdoctoral Researcher
>> University of Delaware
>> *Newark, DE-19716*
>> *********************************************************************
>>
>>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
> 

-- 
*Regards*
*Rameswar*
*********************************************************************
*Dr. Rameswar Bhattacharjee*
Postdoctoral Researcher
University of Delaware
*Newark, DE-19716*
*********************************************************************