;20 ps minimization of RBP4 system
;title			=	FWS
cpp			=	/usr/bin/cpp
;define			=	-DPOSRES_WATER
constraints		=	none
integrator		=	steep
dt			=	0.002
nsteps			=	500
nstxout 		=	250
nstvout			=	1000
nstlist			=	10
ns_type			=	grid
rlist			=	1.0
coulombtype		=	PME
rcoulomb		=	1.0
;vdwtype			=	cut­off
rvdw			=	1.2
fourierspacing		=	0.12
fourier_nx		=	0
fourier_ny		=	0
fourier_nz		=	0
pme_order		=	4
ewald_rtol		=	1e­5
optimize_fft		=	yes
emtol			=	1000
emstep			=	0.01
;Tcoupl			=	berendsen
;tau_t			=	0.1 0.1
;tc_grps			= 	protein non-protein
;ref_t			=	310 310
;;P_coupl			=	berendsen
;pcoupltype		=	isotropic
;tau_p			=	0.3
;ref_p			= 	1
;compressibility		=	5e­5