Poresim

Latest version: v0.2.0

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0.2.0

* Update for PoreMS 0.3.0 and PoreAna 0.2.3
* Possibility to place molecules in a targeted manner in the pore
* For a slit pore you can set molecules near the wall to generate a layer on the wall
* Insertion of the molecules with Gromacs position files

0.1.2

* Filling of pores also possible for mixtures (target density can be defined for more than one molecule)

0.1.1

* Update for PoreMS 0.2.5 and PoreAna 0.2.2
* Improved templates
* Update simulation docs

0.1.0

* Initial version

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