g(r) values

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1

I have performed a simulation which its g® values have started before my sigma values(3A instead of 3.5A for C atoms). I am sure of my force field parameters.

My input file:

2

I have performed a simulation which its g(r) values have started before my
sigma values(3A instead of 3.5A for C atoms). I am sure of my force field
parameters.

[...]

Thanks in advance.

thanks for what?

there is no question here and nobody can/will rerun your simulation to
find out what you are worrying about.

axel.