Closed serbulent-av closed 1 year ago
Looks like it is because I extract the epitope into a PDB for openmm relaxing, which causes some errors on the template matching because of the discontinuous segments. I'm trying to figure out a solution.
Hi, it should work now. I have to put the entire antigen into the compound for openmm relax, which will be slower but will not have the "no template found" problem again.
Thank you very much it seems problem solved.
Hi,
Optmisation demo produces error during relaxation.