VMD-L Mailing List

From: Radak, Brian K (bradak_at_anl.gov)
Date: Fri May 05 2017 - 15:15:55 CDT

The fastest way to do this might actually by with the radial distribution function calculator, which is part of the GUI. This is extra fast if you have a CUDA enabled device.

HTH,
Brian

Brian Radak
Postdoctoral Appointee
Leadership Computing Facility
Argonne National Laboratory

9700 South Cass Avenue, Bldg. 240
Argonne, IL 60439-4854
(630) 252-8643
brian.radak_at_anl.gov
________________________________
From: owner-vmd-l_at_ks.uiuc.edu [owner-vmd-l_at_ks.uiuc.edu] on behalf of Dawid das [addiw7_at_googlemail.com]
Sent: Friday, May 05, 2017 12:22 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: Minimum distance between atoms within representation

Dear VMD Users,

I would like to get the minimum distance between atoms that are part of one
representation. I guess I nedd TCL script for that but I don't really know where to
start to specify what I want to do. Could you give me an advice for that, please?

Best wishes,
Dawid