minimization_SD.mdp

integrator               = steep
nsteps                   = 10000
nstxout                  = 0
nstfout                  = 0
nstlog                   = 0 
emtol 			 = 800.0

cutoff-scheme            = Verlet
nstlist                  = 1
ns_type                  = grid
pbc                      = xyz
verlet-buffer-tolerance  = 0.005

coulombtype              = reaction-field 
rcoulomb                 = 1.1
epsilon_r                = 15    ; 2.5 (with polarizable water)
epsilon_rf               = 0
vdw_type                 = cutoff  
vdw-modifier             = Potential-shift-verlet
rvdw                     = 1.1

constraints = none
constraint_algorithm = lincs
lincs-warnangle = 45
lincs-order=8
lincs-iter=2