reg: one or more keywords in fix bond/create

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1

Thanks Dr. Axel Iam not using fix bond/create for topology building. I am simulating a reaction.

Did you mean define like the following when you said separate runs ?

fix 1r all bond/create 1 14 15 14 235 iparam 1 20 jparam 1 17 prob 1 4546
run 1
unfix 1r
fix 2r all bond/create 1 14 17 14 235 iparam 1 20 jparam 1 18 prob 1 4546
run 1
unfix 2r
fix 3r all bond/create 1 14 16 14 235 iparam 1 20 jparam 1 19 prob 1 4546
run 1
unfix 3r

If I define like the above will I be avoiding the race condition which you mentioned in the previous e-mail?.
Any how I will try this now.

Thanks
Arun

2

Thanks Dr. Axel Iam not using fix bond/create for topology building. I am
simulating a reaction.

with running 3 simulation steps? and probability 1.0. no, that is
building a topology in my book.

Did you mean define like the following when you said separate runs ?

fix 1r all bond/create 1 14 15 14 235 iparam 1 20 jparam 1 17 prob 1 4546
run 1
unfix 1r
fix 2r all bond/create 1 14 17 14 235 iparam 1 20 jparam 1 18 prob 1 4546
run 1
unfix 2r
fix 3r all bond/create 1 14 16 14 235 iparam 1 20 jparam 1 19 prob 1 4546
run 1
unfix 3r

If I define like the above will I be avoiding the race condition which you
mentioned in the previous e-mail?.
Any how I will try this now.

yes, and that is why your question was superfluous.