VMD-L Mailing List

From: Smith, Harper E. (smith.12510_at_buckeyemail.osu.edu)
Date: Fri Jul 24 2020 - 01:34:26 CDT

Hi,

If you have a .dcd file, just use CatDCD https://www.ks.uiuc.edu/Development/MDTools/catdcd/ .

You can make your index file as explained in https://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l.2007-2008/1103.html .

Hope it helps,
Harper
________________________________
From: owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of Yogesh Sharma <yogesh.rma13_at_gmail.com>
Sent: Friday, July 24, 2020 2:05 AM
To: vmd-l_at_ks.uiuc.edu <vmd-l_at_ks.uiuc.edu>
Subject: vmd-l: writing a new trajectory with selected atoms

GREETINGS READERS,

I was wondering if its possible to select some atoms from a trajectory file and make a new trajectory for that selection. For instance writing trajectory for protein only. Is there any way to do it?