VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Thu May 03 2018 - 17:40:36 CDT

>
> 1) Can VMD be run from the command line with no window guis at all?
>

yes.

I use:

vmd -dispdev text ...

-dispdev controls text vs gui

> 2) Can VMD be supplied a list of commands either by standard input or as
> an option on the command line;
>

Yes.

vmd -dispdev text -eofexit < script_file

vmd runs TCL -- so you can use tcl based commands inside the script file to
do your things.

> can VMD be run in batch mode?
>

Depends on what you mean by batch mode. If you just mean command line and
submit separate jobs -- it will depend on how VMD is setup. But if setup
properly - yes - you can run as many instances as you desire. Be careful.
Some plugins might be tricky. So test first.

> 3) Can VMD be run on cluster nodes with no displays?
>

Yes. using the above command - you can use it on a node but vmd needs to be
in your path. 

-- 
Best,
/A