I have generated a code for performing Hybrid MD/MC simulation after reading the documentation and from other’s code. The code is stated below -
fix MC1 all atom/swap 1 1 11345678 300 ke no types 1 2
run 350000
unfix MC1
fix MC2 all atom/swap 1 1 11345678 300 ke no types 1 3
run 350000
unfix MC2
fix MC3 all atom/swap 1 1 11345678 300 ke no types 1 4
run 350000
unfix MC3
fix MC4 all atom/swap 1 1 11345678 300 ke no types 1 5
run 350000
unfix MC4
fix MC5 all atom/swap 1 1 11345678 300 ke no types 2 3
run 350000
unfix MC5
fix MC6 all atom/swap 1 1 11345678 300 ke no types 2 4
run 350000
unfix MC6
fix MC7 all atom/swap 1 1 11345678 300 ke no types 2 5
run 350000
unfix MC7
fix MC8 all atom/swap 1 1 11345678 300 ke no types 3 4
run 350000
unfix MC8
fix MC9 all atom/swap 1 1 11345678 300 ke no types 3 5
run 350000
unfix MC9
fix MC10 all atom/swap 1 1 11345678 300 ke no types 4 5
run 350000
unfix MC10
Can anyone tell me is this code will serve my simulation conditions??
Also, I have found that this type of swapping can be performed in just one instance of fix atom/swap from this thread([Help regarding hybrid MC/MD simulation in lammps]). After reading the documentation, I have no clue how to do it in one instance. Can anyone help?