NN1 and NN2 are trained using Autodock Vina and will not work with QVINA2. I added a UserVar check at the begining of the run to prevent running QVina2 and NN1/NN2 together.
NN1 and NN2 are trained using Autodock Vina and will not work with QVINA2. I added a UserVar check at the begining of the run to prevent running QVina2 and NN1/NN2 together.