; LINES STARTING WITH ';' ARE COMMENTS
title		= Minimization of Hen Egg White Lysozyme (1AKI.pdb)	; Title of run
; The following lines tell the program the standard locations where to find certain files
cpp		= /usr/bin/cpp	; Preprocessor
;define		= -
;define		= -
; Parameters describing what to do, when to stop and what to save
integrator	= steep		; Algorithm (steep = steepest descent minimization)
emstep		= 0.01		; Initial step size
emtol		= 1.0		; Stop minimization when the maximum force < 1.0 kJ/mol
nsteps		= 200		; Maximum number of (minimization) steps to perform
; Parameters describing how to find the neighbors of each atom and how to calculate the interactions
nstlist		= 10		; Frequency to update the neighbor list and long range forces
ns_type	= grid	; Method to determine neighbor list (simple, grid)
rlist		= 1.0		; Cut-off for making neighbor list (short range forces)
rcoulomb	= 1.0		; long range electrostatic cut-off
rvdw		= 1.0		; long range Van der Waals cut-off
constraints	= h-angles		; Bond types to replace by constraints
pbc		= xyz	; Periodic Boundary Conditions (yes/no)