Author Topic: Using RestartInitial  (Read 938 times)


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Using RestartInitial
« on: December 28, 2021, 01:00:06 PM »

I am simulating zeolites with extra framework cations.
I first performed the equilibration of the cations without guest molecules and a restart file was generated with the position of cations.

I now tried using that restart file from the previous simulation to fix the initial position of cations in a new simulation which will now include the adsorbate component as well. The code is throwing the following error:

Could NOT open file: RestartInitial/System_0/restart_
Could somebody help out in troubleshooting this issue?
Thanks a lot.