Hi,
I have a question related to the MM/PBSA / GBSA tutorial.
I could not find the info so apologies if this is obvious. Is it strictly necessary to use the leap.ff99 forcefield when running those simulations? Or will they also work with ff14SB?
Just to be clear, I am not looking to reproduce the results in the tutorial, but to run my own calculations.
Many thanks,
Kavin
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Received on Tue Oct 20 2015 - 05:00:07 PDT
