;minim.mdp - used as input into grompp to generate em.tpr
;Parameters describing what to do, when to stop and what to save
integrator  =steep     ;Algorithm (steep = steepest descent minimization)
emtol	    =3.0    ;Stop minimization when the maximum force < 1000.0 kJ/mo;l/nm
emstep	    =0.01      ;Energy step size
nsteps	    =50000     ;Maximum number of (minimization) steps to perform

;Parameters describing how to find the neighbors of each atom and how to calcul;ate the interactions
nstlist	    =1	       ;Frequency to update the neighbor list and long range fo;rces
ns_type	    =grid      ;Method to determine neighbor list (simple,grid)
rlist	    =1.4	       ;Cut-off for making neighbor list (short range forces)
coulombtype =PME       ;Treatment of long range electrostatic interactions
rcoulomb    =1.4       ;Short-range electrostatic cut-off
rvdw	    =1.4       ;Short-range Van der Waals cut-off
pbc	    =xyz       ;Periodic Boundary Conditions (yes/no)