Dear lammps users,
Could someone please direct me to a very simple lj/cut/coul/long example ? A commented input script would definitely help.
I have looked at the nb3b scripts in the tar ball but it seems to contain more than just a basic example.
Thanks.
Robert
There are several in examples:
cd examples
grep coul/long /in
accelerate/in.phosphate:pair_style lj/cut/coul/long 15.0
accelerate/in.rhodo:pair_style lj/charmm/coul/long 8.0 10.0
dreiding/in.dreiding:pair_style hybrid/overlay hbond/dreiding/lj 2 6 6.5 90 lj/cut/coul/long 8.50000 11.5
dreiding/in.dreiding:pair_coeff 1 1 lj/cut/coul/long 0.015200000256300 2.846421344984478
dreiding/in.dreiding:pair_coeff 1 2 lj/cut/coul/long 0.001232882795416 2.846421344984478
dreiding/in.dreiding:pair_coeff 1 3 lj/cut/coul/long 0.038019995160237 3.159705878878677
dreiding/in.dreiding:pair_coeff 1 4 lj/cut/coul/long 0.038139744011598 2.939787518071103
dreiding/in.dreiding:pair_coeff 2 2 lj/cut/coul/long 9.99999974737875e-05 2.846421344984478
dreiding/in.dreiding:pair_coeff 2 3 lj/cut/coul/long 0.003083828758188 3.159705878878677
dreiding/in.dreiding:pair_coeff 2 4 lj/cut/coul/long 0.003093541672406 2.939787518071103
dreiding/in.dreiding:pair_coeff 3 3 lj/cut/coul/long 0.095100000500679 3.472990412772877
dreiding/in.dreiding:pair_coeff 3 4 lj/cut/coul/long 0.095399530150179 3.253072051965302
dreiding/in.dreiding:pair_coeff 4 4 lj/cut/coul/long 0.095700003206730 3.033153691157727
nb3b/in.nb3b:pair_style hybrid/overlay nb3b/harmonic lj/cut/coul/long 10.0
nb3b/in.nb3b:pair_coeff 1 1 lj/cut/coul/long 0.000000903 5.264325869
nb3b/in.nb3b:pair_coeff 1 2 lj/cut/coul/long 0.000374621 4.214922978
nb3b/in.nb3b:pair_coeff 1 3 lj/cut/coul/long 0 2.632162934
nb3b/in.nb3b:pair_coeff 2 2 lj/cut/coul/long 0.155416412 3.165520088
nb3b/in.nb3b:pair_coeff 2 3 lj/cut/coul/long 0 1.582760044
nb3b/in.nb3b:pair_coeff 3 3 lj/cut/coul/long 0 0
peptide/in.peptide:pair_style lj/charmm/coul/long 8.0 10.0 10.0
qeq/in.qeq.buck:# that defines and uses charges, in this case pair_style buck/coul/long
qeq/in.qeq.buck:pair_style buck/coul/long 12.0
Steve