correcting cli --report option 'dg-raw' to 'raw'

OpenFreeEnergy · Oct 10, 2024 · 5c8eac7 · 5c8eac7
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diff --git a/rbfe_tutorial/cli_tutorial.md b/rbfe_tutorial/cli_tutorial.md
@@ -287,7 +287,7 @@ reported are controlled by the `--report` option:
     uncertainty from DDG replica averages and standard deviations.
   * `ddg` reports pairs of `ligand_i` and `ligand_j`, the calculated
     relative free energy `DDG(i->j) = DG(j) - DG(i)` and its uncertainty.
-  * `dg-raw` reports the raw results, giving the leg (`vacuum`, `solvent`, or
+  * `raw` reports the raw results, giving the leg (`vacuum`, `solvent`, or
     `complex`), `ligand_i`, `ligand_j`, the raw `DG(i->j)` associated with it.
 
 

diff --git a/showcase/openfe_showcase.ipynb b/showcase/openfe_showcase.ipynb
@@ -1816,7 +1816,7 @@
     "\n",
     "`ddg` reports pairs of ligand_i and ligand_j, the calculated relative free energy DDG(i->j) = DG(j) - DG(i) and its uncertainty.\n",
     "\n",
-    "`dg-raw` reports the raw results, giving the leg (vacuum, solvent, or complex), ligand_i, ligand_j, the raw DG(i->j) associated with it."
+    "`raw` reports the raw results, giving the leg (vacuum, solvent, or complex), ligand_i, ligand_j, the raw DG(i->j) associated with it."
    ]
   },
   {
-Original file line number
+Diff line change
@@ Expand Up / @@ -1816,7 +1816,7 @@ @@
         "\n",
         "`ddg` reports pairs of ligand_i and ligand_j, the calculated relative free energy DDG(i->j) = DG(j) - DG(i) and its uncertainty.\n",
         "\n",
-        "`dg-raw` reports the raw results, giving the leg (vacuum, solvent, or complex), ligand_i, ligand_j, the raw DG(i->j) associated with it."
+        "`raw` reports the raw results, giving the leg (vacuum, solvent, or complex), ligand_i, ligand_j, the raw DG(i->j) associated with it."
        ]
       },
       {
@@ Expand Down @@