***************************************************************************
*            Input file to define the global optimisation procedure       *
***************************************************************************

GENERAL
./../Aminobenzoic_acid/Zpr_1 /               	!output directory 
./../Aminobenzoic_acid/Zpr_1 /               	! input directory

SIMULATION
15.0d0                	!vdW cut off in A
12.0d0                   	!start of spline cubic interpolant in A
15.0d0                 	!real space electrostatics cut off in A
1.d-11                   	!accuracy in Ewald summation
0.d0                     	!pressure in Pa
no                       	!=yes standardise hydrogen distances, =no leave unaltered
yes                      	! =yes foreshorten H positions by 0.1A
constant                 	! =constant, use charges from molecules.in
                         	! =variable, use charges from charge_*.in input file(s)

SEARCH     
30.d0                 	!minimum cell angle in deg
150.d0                 	!maximum cell angle in deg
3.d0                   	!minimum cell length in A
60.d0                 	!maximum cell length in A
300.d0                 	!minimum cell density in kg/m3
50.0d0                   	!maximum intermolecular energy in kJ/mol
40.d0                    	! maximum intramolecular energy in kJ/mol
0.15d0                   	!minimum deformation parameter; range (0-> very elongated ,1-> all lattice angles are 90 deg]
150000                  	!maximum number of minimisations
15.d0                    	!region of polymorphism in kJ/mol