[gmx-users] get_index

[Pedro Alexandre de Araújo Gomes Lapido Loureiro]

Thank you, Mark, for your suggestion (even added it to my "favourites").
But in this problem I'd prefer to stick to C, despite the grater difficulty.

Regards,

Pedro.


2007/7/4, Mark Abraham <mark.abraham at anu.edu.au>:
>
> > Hi,
> >
> > I want to automate the process of getting the index groups in an
> analysis
> > program I'm working on.
> > This is justified because of the large number of groups I work with
> (more
> > than 100).
> >
> > The program asks for user input ("Select a group:") by the function:
> >
> > void get_index(t_atoms *atoms, char *fnm, int ngrps,
> >                int isize[], atom_id *index[],char *grpnames[])
> >
> > which, I think, is defined in /src/gmxlib/index.c.
> >
> > Do you have any idea on how to solve this problem?
>
> Rather than hack the C code, you can automate human-program interaction
> well with "Expect" (Google for link) which gives you a programmatic
> interface that you could tweak to make a wrapper for make_ndx that suits
> your needs.
>
> Mark
>
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