template.input

#restart (yes=1,no=0)
0
#xyz file of previous run (only read if restart=1)
can use this later
#number of distinct particle types
1
#provide the number of particles for each particle type
#number of particles for type 1
1000
#concentration in mol/L --> this a total concentration for all particle types
0.004
#for example, with a molar mass of 25429.9 g/mol this corresponds to 100 mg/ml
#simulation temperature in Kelvin
290
#AVBMC bias
0.5
#min distance of in region in Angstrom
20.0
#max distance for in region in Angstrom
50.0
#exclusion distance
20.0
#cutoff distance for interaction
150.0
#Monte Carlo step size in Angstrom
100.0
#number of MC cycles
1000
#ratio of AVBMC moves
0.5
#print frequency
10
#xyz output file
output.xyz
#file(s) with tabulated potential for interactions between all particle types
#distance in Angstrom
#potential of mean force in kJ/mol
#example for 3 particle types:
#file name with tabulated potential between particle types 1 and 1
#file name with tabulated potential between particle types 1 and 2
#file name with tabulated potential between particle types 1 and 3
#file name with tabulated potential between particle types 2 and 2
#file name with tabulated potential between particle types 2 and 3
#file name with tabulated potential between particle types 3 and 3
#However, here we just use one particle type
#file name with tabulated potential between particle types 1 and 1
pmf-290K.dat
#max memory (bytes)
2.0e9