Hi there,
I am using delete-atoms
command to delete some molecules in my data file. But I get the error “Illegal delete atoms command”. Can anybody help debug my input file?
Also, the version of LAMMPS that I am using is 2017.
echo both
units real
dimension 3
boundary p p p
atom_style full
restart 200 restart
# Pair_Coefficient ..............................................................................................................................................
pair_style lj/class2/coul/long 10 15
dielectric 1.0
bond_style class2
angle_style class2
dihedral_style class2
improper_style class2
read_data System.data
#read_restart System.data
#info coeffs out log
#...................................................................................................................................................................................
kspace_style pppm 0.0001
neighbor 2 bin
neigh_modify every 1 delay 0 check yes
# group of hydrogen bonding
group S type 5
group Os type 6
group Ow type 8
group H type 7
#graphene group
group graphene id 1:6400
#Hydronium group
group H3O+ molecule <> 63 683
#Water group
group H2O molecule <> 684 1919
#Delete Hydronium molecules
delete_atoms random count 11 no H3O+ NULL 482793
#Delete Water molecules
delete_atoms random count 16 no H2O NULL 482793
# Warite data
write_data Composite_3Lamb.data
Any help is highly appreciated,
Thanks,