[docs] capitalize GROMACS (#356)

Gromacs, as written, returns an error: "NotImplementedError: Gromacs parser not found." Fixed by writing GROMACS
alchemistry · May 15, 2024 · b2ac2f0 · b2ac2f0
1 parent eae82d8
commit b2ac2f0
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/docs/workflows/alchemlyb.workflows.base.rst b/docs/workflows/alchemlyb.workflows.base.rst
@@ -7,15 +7,15 @@ basic API template for the workflow development.  The workflow should
 be able to run in an automatic fashion. ::
 
     >>> from alchemlyb.workflows.base import WorkflowBase
-    >>> workflow = WorkflowBase(units='kT', software='Gromacs', T=298,
+    >>> workflow = WorkflowBase(units='kT', software='GROMACS', T=298,
         out='./', *args, **kwargs)
     >>> workflow.run(*args, **kwargs)
 
 Three main functions are provided such that the workflow could be run in a
 step-by-step fashion. ::
 
     >>> from alchemlyb.workflows.base import WorkflowBase
-    >>> workflow = WorkflowBase(units='kT', software='Gromacs', T=298,
+    >>> workflow = WorkflowBase(units='kT', software='GROMACS', T=298,
         out='./', *args, **kwargs)
     >>> workflow.read(*args, **kwargs)
     >>> workflow.preprocess(*args, **kwargs)