[lammps-users] Fwd: Compute RDF Output file contains no data

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1

Dear all,
I am trying to compute RDFs between certain atom types during NVT simulation. The simulation is running fine and with no errors but the output file of RDF is empty. Can anyone please help me why it is happening so?

The input file, output file of RDF is attached here as the attachment. Since the restart file is bigger than the limit of 999 KB so i cant able to post it here. The link to that file is https://drive.google.com/file/d/16rNwgnBgzFtEJgUI0Verz30b42ymU-tC/view?usp=sharing
Thanking you.

tmp.txt (147 Bytes)

1.in (1.16 KB)

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There is a big problem in your input script: you are using “reset_timestep 0” after you have defined the rdf compute and the fix ave/time.
that means they will only become active after the timestep has sufficiently increased from the current timestep at the time of their definition, i.e. 500000

changing the current timestep with reset_timestep is a bad idea while any kind of fixes or dump styles are active.

axel.