Pedro Alexandre de Araújo Gomes Lapido Loureiro
palaplou at gmail.com
Wed Jul 4 17:24:15 CEST 2007
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.
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
> > program I'm working on.
> > This is justified because of the large number of groups I work with
> > 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.
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