void To_Setup_All_Dihedral_Constraint(void) { int i; Mol_ESP.nPhi_Fixed = 0; for(i=0; i<n_Phi; i++) { Mol_ESP.To_Fix_Dihedral(DihList[i][0], DihList[i][1], DihList[i][2], DihList[i][3], Mol_ESP.Query_Dihedral(DihList[i][0], DihList[i][1], DihList[i][2], DihList[i][3], 0, NULL)); } }