@aydinsaribudak , please make sure you have ambertools, check this out: https://github.com/2019-ncovgroup/DrugWorkflows/tree/wf2/adrp/workflow-3#ambertools19
@aydinsaribudak ,
please make sure you have ambertools, check this out: https://github.com/2019-ncovgroup/DrugWorkflows/tree/wf2/adrp/workflow-3#ambertools19