;
;	File 'topol.top'
;

; Include forcefield parameters
#include "./forcefield/forcefield.itp"
#include "./forcefield/co2.itp"

; Include water topology
#include "./forcefield/tip4p_ice.itp"

#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000
#endif

[ system ]
; Name
CO2 and Water in water

[ molecules ]
; Compound        #mols
CO2               512
SOL              2944