Open jchodera opened 8 years ago
@jchodera It was also suggested running Epik at more than one pH so we can investigate whether the energies it outputs make sense.
Got it! I can do that.
Was this just for His peptides or imatinib as well?
OK, I now have a pH sweep for HIS and HIS-HIS in this directory.
In our discussion with @mrgunner, she indicated she would like to continue to explore the (His)_n peptides.
Can you take a look at the files in this directory and see if you need me to generate anything else here?