diff --git a/conda_recipe/frag_env.yaml b/conda_recipe/frag_env.yaml index ea0dc74..16d5c04 100644 --- a/conda_recipe/frag_env.yaml +++ b/conda_recipe/frag_env.yaml @@ -1,9 +1,7 @@ name: frag_env channels: - - NostrumBiodiscovery - conda-forge - - omnia - - rdkit + - NostrumBiodiscovery - martimunicoy dependencies: @@ -19,4 +17,4 @@ dependencies: - mdtraj - adaptive_pele>=1.7.1 - lib_prep>=1.1.2 - - peleffy>=1.3.0 + - peleffy>=1.3.2