/usr/include/gromacs/legacyheaders/nonbonded.h is in libgromacs-dev 5.1.2-1ubuntu1.
This file is owned by root:root, with mode 0o644.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef _nonbonded_h
#define _nonbonded_h
#include "gromacs/legacyheaders/typedefs.h"
#ifdef __cplusplus
extern "C" {
#endif
#if 0
} /* fixes auto-indentation problems */
#endif
void
gmx_nonbonded_setup(t_forcerec * fr,
gmx_bool bGenericKernelOnly);
void
gmx_nonbonded_set_kernel_pointers(FILE * fplog,
t_nblist * nl,
gmx_bool bElecAndVdwSwitchDiffers);
#define GMX_NONBONDED_DO_LR (1<<0)
#define GMX_NONBONDED_DO_FORCE (1<<1)
#define GMX_NONBONDED_DO_SHIFTFORCE (1<<2)
#define GMX_NONBONDED_DO_FOREIGNLAMBDA (1<<3)
#define GMX_NONBONDED_DO_POTENTIAL (1<<4)
#define GMX_NONBONDED_DO_SR (1<<5)
void
do_nonbonded(t_forcerec *fr,
rvec x[], rvec f_shortrange[], rvec f_longrange[], t_mdatoms *md, t_blocka *excl,
gmx_grppairener_t *grppener,
t_nrnb *nrnb, real *lambda, real dvdlambda[],
int nls, int eNL, int flags);
#ifdef __cplusplus
}
#endif
#endif
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