Dear LAMMPS Experts,

I have a N length of polymer chain and have a list of i,j pairs which makes bond with given prob. Those extra bonds who have higher probability appear more number of times and those who have lesser prob. appear less number of times in simulation.

I am using this command.

fix c2 all bond/create 1 1 13 0.97 4 prob 0.078652 76647

fix b2 all bond/break 5 4 0.97 prob 0.078652 76718

1, 13 is the atom id and 4 is bond type.

Now from trajectory output i am calculating how many snapshots have that particular bond.

I am expecting that number of snapshots have particular bond will be proportional to given prob 0.078652.

But i see a very large differences.

Do i need to define different probability in fix command or Is there anything in LAMMPS called rate of bond creation and break

where i can tuned the rate to get the desired probability.

Thanks.

Regards

Ankit Agrawal

Research Student in Computational Biology

The Institute of Mathematical Sciences

India