Skip to content

Commit

Permalink
Update example_structureoutput.rst
Browse files Browse the repository at this point in the history
  • Loading branch information
pedrishi committed Jun 2, 2023
1 parent d6805d8 commit 43a8e98
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion docs/source/getting_started/example_structureoutput.rst
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ In order to output this structure we need to add the argument :code:`structure_o
output = pKas.out # pKa values output file
structure_output = out.pdb, 7, amber # Output structure with the most likely protonation state at a given pH value
# filename, pH value, force field ("gromos_cph", "amber")
ph = 7 # pH range
pH = 7 # pH range
To run the simulation execute the following command:

Expand Down

0 comments on commit 43a8e98

Please sign in to comment.