rinikerlab/PyGromosTools

Work folder changing in simulations

MTLehner opened this issue 3 years ago · 2 comments

MTLehner commented 3 years ago

should the workfolder not be changed after a simulation? - would make the tutorial code less confusing.

MTLehner commented 3 years ago

@schroederb is this still open?

RiesBen commented 3 years ago

This was done by @pultar and me. It is solved by resetting the workfolder to initial input value.
https://github.com/rinikerlab/PyGromosTools/blob/release3/pygromos/simulations/modules/general_simulation_modules.py