SMF - Just Installed!

Main Menu

Configuration Files

Started by arsgk, November 23, 2018, 12:42:33 PM

Previous topic - Next topic


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

See e.g. the "Movies yes" and "WriteMoviesEvery 5000" options  (explained in the manual).