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35 #ifndef GMX_GMXPREPROCESS_READ_CONFORMATION_H
36 #define GMX_GMXPREPROCESS_READ_CONFORMATION_H
38 #include "types/simple.h"
39 #include "types/atoms.h"
46 /*! Helper function reading VDW radii
48 * Used directly and indirectly by generate-velocities and
49 * insert-molecules. */
50 void mk_vdw(t_atoms *a, real rvdw[], gmx_atomprop_t aps,
51 real r_distance, real r_scale);
53 /*! Helper function to read a conformation from a file.
55 * Used by generate-velocities and insert-molecules. */
56 char *read_conformation(const char *confin, t_atoms *atoms, rvec **x, rvec **v,
57 real **r, int *ePBC, matrix box, gmx_atomprop_t aps,
58 real r_distance, real r_scale);