changeset | e61a8e00f196 |
---|---|
branch | default |
bookmark | |
tag | tip |
user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/free_energy commit eefe89bfcd6c3e98f4e774e508ad0659dcc2f65c" |
files | alchemical_run/gmx_fep.sh |
changeset | aed58de03f5c |
---|---|
branch | |
bookmark | |
tag | |
user | chemteam |
description | "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/free_energy commit 4c75f8d26505d221d4144f4ae7d2fb7698fbe4ab" |
files | alchemical_analysis/alchemical_analysis.xml alchemical_analysis/test-data/Free_energy_change_dF(t).txt alchemical_analysis/test-data/data.tar alchemical_run/gmx_fep.sh alchemical_run/test-data/Input_files.tar alchemical_run/test-data/Report.txt alchemical_run/test-data/TI_FEP_data_output.tar alchemical_run/test-data/morph.gro alchemical_run/test-data/morph.top |