#-------------------------------------------------------------------------------
# Stage 2.6: Custom code
#-------------------------------------------------------------------------------

thermo_style      custom step v_time press vol v_sysdensity temp ebond eangle edihed eimp evdwl ecoul etail elong pe ke
thermo            100
fix               1 subset_Layer1 nvt temp 298.2 298.2 100 drag 0.0

compute myADF1 all adf 100 4 7 7 0 2.7 0 2.7
fix ad1 subset_Layer1 ave/time 1 200000 200000 c_myADF1[*] file tmp1.adf mode vector

compute myADF3 all adf 100 3 7 7 0 3.4 0 3.4
fix ad3 subset_Layer1 ave/time 1 200000 200000 c_myADF3[*] file tmp3.adf mode vector

compute myADF4 all adf 100 5 7 7 0 2.7 0 2.7
fix ad4 subset_Layer1 ave/time 1 200000 200000 c_myADF4[*] file tmp4.adf mode vector

compute myADF5 all adf 100 1 7 7 0 3.9 0 3.9
fix ad5 subset_Layer1 ave/time 1 200000 200000 c_myADF5[*] file tmp5.adf mode vector

compute myADF6 all adf 100 9 7 7 0 4.8 0 4.8
ERROR: Numeric index 9 is out of bounds (1-8) (../compute_adf.cpp:139)
Last command: compute myADF6 all adf 100 9 7 7 0 4.8 0 4.8