diff --git a/rbfe_tutorial/cli_tutorial.md b/rbfe_tutorial/cli_tutorial.md index 1b8fc84..4e87e81 100644 --- 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 index e4dd12a..0c6ea99 100644 --- 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." ] }, {