[gmx-users] gmx_ana_selcolletion_t definition

MURILO GABARDO KRAMAR murilokramar at alunos.utfpr.edu.br
Fri Jul 8 18:59:18 CEST 2016


Hello List,

I'm developing a analysis program based on tamplate.c of Gromacs 4.5.3. In
order to do so, I intend to use the function
gmx_ana_selcollection_evaluate() along with modification of the name field
within the structure gmx_ana_selection_t inside analyze_frame function().

The gmx_ana_selcollection_evaluate() requires the usage of
gmx_ana_selcolletion_t which I put inside the following structure:
typedef struct
{
gmx_ana_selection_t *refsel;
FILE *fp;
FILE *fp2;
real *ave;
real *n;
gmx_ana_nbsearch_t *nb;

//
gmx_ana_selcolletion_t *sc;
} t_analysisdata;

Whenever I compile my program it doesn't recognize gmx_ana_selcolletion_t
which resides in 'selcolletion.h', but I don't know where to find this file
in Gromacs include folder so I can proper include it.

Thank you all,

Murilo.


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