Mike, On Thu, May 16, 2019 at 12:32 PM Mike Henry <[email protected]> wrote: > > I'm working on updating the VOTCA CSG examples to work with python3 and hoomd > 2.x. From my understanding of the examples, I just need to update the scripts > python scripts like "spce/ibi_hoomd-blue/spce.py" in the csg-tutorials > repository and change the hoomd invocation command to "python3", since it > looks like most of the VOTCA CSG internals are agnostic to the MD engine > since it uses gromacs .gro files for the IO? Yes, please send us a pull request on github at: https://github.com/votca/csg-tutorials/pulls I am happy to point you in the right direction if you have any questions!
The main reason I used .gro files as input for hoomd in the past was that it was easy to parse. If you want to use a hoomd-specific text-based input file, please let go ahead. Christoph > > Thanks! > Mike > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at https://groups.google.com/group/votca. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/e45cd376-ff72-4366-8f2b-722f4a24cd2f%40googlegroups.com. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e7_qYzT9A%2Bu2eC_3%3DJNLjBoYh3cQYEZ5FvUtom23tJTew%40mail.gmail.com. For more options, visit https://groups.google.com/d/optout.
