VMD-L Mailing List

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Sun Mar 22 2020 - 08:06:47 CDT

Hey,

the *measure hbonds* command is just what you need:
https://www.ks.uiuc.edu/Research/vmd/current/ug/node138.html

Best,
Jerome

On Sun, 22 Mar 2020 at 08:52, 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
>