VMD-L Mailing List
From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Mon Oct 29 2018 - 09:35:18 CDT
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Uhhh... What? NAMD writes .dcd files, not .trj... If NAMD wrote a .dcd with the wrong extension, catdcd is probably your best bet.
-Josh
On 2018-10-29 00:24:32-06:00 Sasthi Charan Mandal wrote:
Thank you for the links. The .trj files are NAMD files. So how do I do that?
On Mon, Oct 29, 2018 at 4:31 AM Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov<mailto:Joshua.Vermaas_at_nrel.gov>> wrote:
-Josh
On 2018-10-27 08:35:47-06:00 owner-vmd-l_at_ks.uiuc.edu<mailto:owner-vmd-l_at_ks.uiuc.edu> wrote:
Dear VMD users,
.trj files are GROMACS, right? The trjconv utility is the usual way of handling this problem: http://manual.gromacs.org/programs/gmx-trjconv.html
I have a problem about saving trajectory files in vmd. I have a trj file which contains about 40000 frames including water and protein structure and I want to save only protein part for all the 40000 frames. I can't just load it in vmd and save it because my system hanks. The other option is to load it in background but after loading it in background, I don't know how to save it or what is the command for saving it. Can anyone help to get out of this problem?
Thanks in advance.
