[gmx-users] Help with editconf

[Catarina A. Carvalheda dos Santos]

Consider the following groups in an imaginary .ndx file:

0 Protein
1 Lipid_1
2 Lipid_2
3 Lipid_3
4 SOL

To create a new group with the protein and the 3 types of lipids using
make_ndx:

0 | 1 | 2 | 3

This will create a new group containing groups 0, 1, 2 and 3.

On 17 December 2015 at 11:13, Rita Galvão <ritamelo at ctn.ist.utl.pt> wrote:

> Thanks Tsierk!
> My problem is in gmx make_ndx. I need to create to group, one with the
> protein and other with  protein and 3 kind of lipids excluding waters.
> Do you know how to do?
> Rita
>
> No dia 16/12/2015, às 20:47, Tsjerk Wassenaar <tsjerkw at gmail.com>
> escreveu:
>
> > Hi Rita,
> >
> > You'll need to make/use an index file (gmx make_ndx).
> >
> > Cheers,
> >
> > Tsjerk
> >
> > On Wed, Dec 16, 2015 at 7:06 PM, Rita Melo <ritamelo at ctn.ist.utl.pt>
> wrote:
> >
> >> Dear all,
> >>
> >> I'm using editconf and I need to select several groups at same time.
> How to
> >> do that?
> >>
> >> Thanks!
> >> Rita.
> >>
> >> --
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> > --
> > Tsjerk A. Wassenaar, Ph.D.
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-- 
Catarina A. Carvalheda

PhD Student
Computational Biology Division
SSE & SLS
University of Dundee
DD1 5EH, Dundee, Scotland, UK