[gmx-users] genion without stdin

[Justin Lemkul]

On 2/13/20 5:59 AM, Christian Blau wrote:
> Hello Matthias,
>
>
> yes, if you use an indexfile with exactly one index group inside, this 
> index group will be automatically picked.
>
>
> (like
>
> [ solvent ]
>
> 1001 1002 1003 1004 1005 1006 1007 1008 1009  ...
>
> and nothing else
>

It's even easier than that:

echo "SOL" | gmx genion ...

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

==================================================