[lammps-users] Minimization of Silicalite

Dear all,
Warm regards. I am very much new to Lammps.
I am trying to get familarized with the usage of the package.
Right now, i am trying to minimize the silicalite structure.
Though the program runs, I get the total energy in a positive (since coulomb is also very positive).
I dont know where i am going wrong. Could you please help me in this regard.

The input script is as follows

units real
atom_style full
boundary p p p
dimension 3

pair_style lj/cut/coul/long 10.0 8.0
angle_style harmonic
bond_style harmonic
dihedral_style harmonic
kspace_style pppm 0.0001

read_data MFI.lammps05

neighbor 2.0 bin
neigh_modify delay 5 check yes
timestep 1.0
min_style cg
run_style verlet

thermo_style multi
thermo 100

dump 1 all xyz 1000 MFI.xyz

fix 1 all nvt 310.0 310.0 10.0

minimize 0.0 1.0e-4 1000 100

run 10000

Narasimhan L

I don't see anything obviously wrong with your script.