Search found 2 matches

by Dominik St. Pierre
Sun Apr 21, 2024 11:59 am
Forum: OpenMM
Topic: PDB File doesnt properly turn into topology with app.PDBFile
Replies: 2
Views: 1734

Re: PDB File doesnt properly turn into topology with app.PDBFile

Thank you so much!!!
by Dominik St. Pierre
Thu Apr 18, 2024 7:36 am
Forum: OpenMM
Topic: PDB File doesnt properly turn into topology with app.PDBFile
Replies: 2
Views: 1734

PDB File doesnt properly turn into topology with app.PDBFile

Hello, i am new to OpenMM, so if the fix is obvious please don't go too hard on me. I created a PDB file with Avogadro, which works perfectly fine in VMD or PyMOL, but when i try to open it with app.PDBFile(), it somehow only loads two of the 33 Atoms?? I attached a screenshot of the python code whi...