integrator          =  md		
dt                  =  0.00000001
nsteps              =  100; 50 ns
nstcomm             =  20		
nstxtcout           =  100	
nstxout             =  100000
nstvout             =  500		
nstfout             =  0		
nstlog              =  1		
nstenergy           =  1		
nstlist             =  1
ns_type             =  grid		
rlist               =  4.5
rcoulomb            =  4.5
rvdw                =  4.5
rgbradii            =  0
pbc                 =  no
comm_mode           =  linear

constraints         = none

Tcoupl              =  no 		
tc-grps		    =  Protein		
tau_t               =  .01
ref_t               =  300		

energygrps          =  Protein		

; Generate velocites is off at 300 K.
gen_vel             =  yes		
gen_temp            =  300.0		
gen_seed            =  -1		
ld_seed             =  -1		
coulombtype         = cutoff
epsilon_rf          = 78.