double isp=0.564189583547756;
#endif
int niat;
- bool bFreeEnergy = (chargeB != NULL);
- bool bMolPBC = fr->bMolPBC;
+ gmx_bool bFreeEnergy = (chargeB != NULL);
+ gmx_bool bMolPBC = fr->bMolPBC;
one_4pi_eps = ONE_4PI_EPS0/fr->epsilon_r;
vr0 = ewc*2/sqrt(M_PI);