Hi all,
i had created a lammps file that i was able to run it with a previous Lammps release. Today i decided to reinstall Lammps with kspace.now i am trying to run the same file again but i get the error:
ERROR: Illegal fix nvt/npt/nph command
Have i done something wrong with my installation or something changed with the last version?
Thank you
Dimitris
dimension 3
boundary p p p
units real
neighbor 2 bin
neigh_modify delay 2 every 1
atom_style full
bond_style harmonic
angle_style harmonic
pair_style lj/cut/coul/cut 10 18
pair_modify mix arithmetic
#kspace_style pppm 1e-4
read_data CO2_potoff.data
pair_coeff 1 1 0.156989178401 3.05 #OO epsilon(kcal/mol) sigma(A)
pair_coeff 2 2 0.053654529327 2.8 #CC epsilon-sigma
bond_coeff 1 10000 1.16
angle_coeff 1 10000 180.0
fix 1 all npt 300 300 100 xyz 0.98 0.98 100
velocity all create 300 8745350 loop geom
minimize 1.0e-06 1.0e-8 1000 100000
timestep 1.0
dump 1 all atom 1 co2min1-Potoff.lammpstrj
dump_modify 1 image yes
run 1
write_restart CO2data.minim-Potoff.restart