Hi,
I am trying to calculate the binding energy for the single-walled carbon
nanotube and drug complex using MMPBSA.
When i try run it with default parameters, It shows "mmpbsa_py_energy
found!"
Then i add "use_sander=1". It is working, but the results seems wrong. It
shows high dihedral energy for the complex.
Best Regards,
KK
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Received on Mon Feb 06 2017 - 09:30:02 PST
