char ***atomname;
int *cgnr;
/* Bonded interaction setup */
- gmx_bool bAlldih;
+ gmx_bool bKeepAllGeneratedDihedrals;
int nrexcl;
- gmx_bool HH14;
- gmx_bool bRemoveDih;
+ gmx_bool bGenerateHH14Interactions;
+ gmx_bool bRemoveDihedralIfWithImproper;
/* list of bonded interactions to add */
t_rbondeds rb[ebtsNR];
} t_restp;