; Run parameters
integrator	= md	        
nsteps		= 5000000	; 10 ns
dt		= 0.002		; 2 fs

; Output control
nstxout		= 100		
nstvout		= 100		
nstenergy	= 100		
nstlog		= 100		
ns_type		= grid		
nstlist		= 5		
rlist		= 1		
rcoulomb	= 1		
rvdw		= 1		
; Electrostatics
coulombtype	= PME	
pme_order	= 4		
fourierspacing	= 0.15		
ewald_rtol      = 1e-05
optimize_fft    = yes
; Temperature coupling is on
tcoupl		= V-rescale	
tc-grps		= System	
tau_t		= 0.1		
ref_t		= 298 		
pbc		= xyz		
; Method for doing Van der Waals
vdw-type        = Cut-off
gen_vel		= yes		
gen_temp	= 298		
gen_seed	= -1		

; OPTIONS FOR BONDS    
constraints              = all-bonds
; Type of constraint algorithm
constraint-algorithm     = Lincs
; Highest order in the expansion of the constraint coupling matrix
lincs-order              = 4.
lincs-iter               = 1
lincs-warnangle          = 30

; Electric fields      
E-z                      = 1 0.0000001 0  ;100 v/cm