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cbc-univie · May 17, 2023 · 9cbb7e2 · 9cbb7e2
1 parent de5a366
commit 9cbb7e2
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/templates/im1h_oac/generate_psf.py b/templates/im1h_oac/generate_psf.py
@@ -1,9 +1,12 @@
 import sys
+
 #pip install git+https://github.com/florianjoerg/cbchelpers.git
 from cbchelpers.parmed_extension import enable_psf_from_scratch
+
 enable_psf_from_scratch()
 from parmed.charmm import CharmmParameterSet, CharmmPsfFile
 
+
 def main():
     para_files = [
         "../../protex/forcefield/toppar/toppar_drude_master_protein_2013f_lj025.str",