[gmx-users] using groups in index for gmx select

[Mark Abraham]

Hi,

I don't know, but like all kinds of complex things, start with a simple
thing and add complexity. Can you get the input index group to be the
output group?

Mark

On Wed, 14 Jun 2017 07:45 Sahithya S Iyer <sah2714 at gmail.com> wrote:

> Hi gmx users,
>
> Can anyone please tell me how to use a group in index file in gmx select.
> For example -
>
> *gmx select -n index.ndx -select 'name "OH2" and within 2 of com of name "P
> and r 1-36"' -on P-water.ndx -s step7_production.tpr*
>
> does not write out anything in the index (P-water.ndx) file. I have defined
> this group in the index file. Can I use this in the -select command? If so,
> how ?
>
>  Basically I would like to select oxygen atoms of water molecules that are
> 2 nm around the phosphate groups of one monolayer.
>
> Any help is much appreciated.
> Thanks in advance.
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