VMD-L Mailing List

From: 刘宸宇 (lcy9086_at_gmail.com)
Date: Sun Mar 22 2020 - 16:53:21 CDT

Hi everyone,
Thank all of you for your precious suggestions and I really appreciate your
help. I find out on the vmd website
https://www.ks.uiuc.edu/Research/vmd/plugins/hbonds/, this page contains
command line instructions that can be executed through vmd -dispdev text.
The whole process takes less than a minute. Apart from that, I will
definitely try out the methods you proposed.
Thanks again for your generous help!
Regards,
Chenyu

On Sun, Mar 22, 2020 at 2:43 AM 刘宸宇 <lcy9086_at_gmail.com> wrote:

> Hi everyone,
> I am currently running analysis on hydrogen bonding within my trajectory
> with the "Extensions: Analysis: Hydrogen bonds" tool. Due to the large size
> and large number of my trajectories, running this process interactively
> will be a painful and time-consuming process. I was wondering if someone
> could possibly point out a way to run this process with script so that I
> can submit the job to the server without running it interactively. Any
> suggestion is appreciated!
> Thanks,
> Chenyu
>