Hi, ALL
I’m running the energy minimization and want to obtain the converged configuration.
However, the “dump” command didn’t export any configuration. Could you look it over and
give some comment ? Thanks in advance !
Sincerely,
Guozhen Zhang
-------------the parameter file is like this -------------------
units real
atom_style full
pair_style lj/cut/coul/long 9.0
pair_modify mix geometric shift yes
bond_style harmonic
angle_style none
dihedral_style none
improper_style none
kspace_style pppm 0.00001
read_data test.lammps05
neighbor 2.0 bin
neigh_modify delay 5
special_bonds lj/coul 0.0 0.0 1.0
thermo_style multi # no argument
thermo 0 # output thermodynamics in the beginning and the end
minimize 1.0e-4 1.0e-5 100 10000
min_style cg
min_modify dmax 0.1
#fix 1 all box/relax aniso 0.0
dump 1 all atom 1 dump.min
dump_modify 1 first yes