dyn_min_wat_noshake.inp

[MD]
steps                30000    
stepsize                0.1
temperature             1
initial_temperature     1
random_seed             125549 
bath_coupling           1
separate_scaling        on
lrf                     on
shake_solvent		off

[sphere]
exclude_bonded		on

[cut-offs]
q_atom			99

[intervals]
non_bond                 30
output                   500
trajectory            500 

[files]
topology        BL.top
final           dyn_min_wat_noshake.re
trajectory	dyn_min_wat_noshake.dcd
fep		BL.fep

[lambdas]
1.0     0.0

[sequence_restraints] 
1       3989   200     1       0