diff --git a/src/solvation/cosmo_input.F b/src/solvation/cosmo_input.F index a5d2697e25..4d9cfee4eb 100644 --- a/src/solvation/cosmo_input.F +++ b/src/solvation/cosmo_input.F @@ -378,6 +378,8 @@ c cosmo_cavity = COSMO_CAVITY_VDW else if (inp_compare(.false.,'ses',token)) then cosmo_cavity = COSMO_CAVITY_SES +c use KS model by default when using SES cavity + do_cosmo_model=DO_COSMO_KS else write(luout,*)"invalid option for CAVITY, valid options are:" write(luout,*)"- VDW for a van der Waals cavity"