Author Topic: Configuration Files  (Read 54 times)

arsgk

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Configuration Files
« on: November 23, 2018, 12:42:33 PM »
Hello everybody

I am new to RASPA and i would like to know how can i have the configuration files (in ASCII format) including the actual coordinates of the atoms (or molecules) for post processing of the simulation. It was not possible for me to write-save the coordinates (and velocities) in a configuration file.

Thank you for your time!

David Dubbeldam

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Re: Configuration Files
« Reply #1 on: November 26, 2018, 06:54:08 PM »
See e.g. the "Movies yes" and "WriteMoviesEvery 5000" options  (explained in the manual).