[gmx-users] genion without stdin

Justin Lemkul jalemkul at vt.edu
Fri Feb 14 03:30:05 CET 2020



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

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Justin A. Lemkul, Ph.D.
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