Thursday, July 17, 2014

July 16, Summary

     I started on my tutorial again for CHARMM again because this time I got a template so I had to start over. Didn't get that far on it since I found out that I have to run 2 more simulations.  This time instead of running my system with periodic boundary conditions (PBC), I will run my same two systems with GSBP where the simulation will look only at the area of the ligand and binding pocket where as the PBC would look at the whole molecule.  This way my calculations would run faster and I would have quicker results unlike the other  calculation which will likely take a few more days before it would be done.

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