Hi,

I want to calculate free energy from lammps using compute ti command.I

get the problem illegal fix adapt command. please help me to fix this

error.

My input file is-

dimension 3

units real

boundary p p p

kspace_style pppm 1.0e-4

kspace_modify order 3

atom_style full

pair_style lj/cut/coul/cut 15.0

bond_style harmonic

angle_style harmonic

pair_modify mix arithmetic

read_data datafile

neighbor 2.0 bin

neigh_modify delay 0 every 1 check yes one 10000 page 1000000

group ion type 1

group wtr type 2 3

minimize 1.0e-4 1.0e-6 1000 10000

variable lambda equal 0.01

variable scale1 equal ramp(1,0.01)

variable dscale1 equal 1

variable c equal ramp(1,0.01)

variable dc equal 1

variable ks equal ramp(3,1)

variable dks equal 1

compute er all ti lj/cut v_scale1 v_dscale1 coul/cut v_c v_dc kspace v_ks v_dks

fix 10 all adapt 10 pair lj/cut epsilon 1 2 v_scale1 pair coul/cut

scale 1 1 v_c scale yes reset yes

fix 2 all npt temp 300.0 300.0 100.0 iso 1.00 1.00 1000.0

timestep 1.0

thermo 100

thermo_style custom step temp vol etotal c_er

restart 100000 restart

dump 6 all custom 1000 free.dump id mol type x y z

run 800000