Hi,
Let's say I have my own frcmod file and I want to obtain frequency data and
intermolecular energies by using amber as gaff article did. (Here is the
link: http://ambermd.org/antechamber/gaff.pdf). How can I do this?
I think I can calculate intermolecular energies by using mmpsa.py but I am
not sure and as I understood I should use "normal node analysis" for
calculating but I don't know how to this. If you helped me, I would be
very very happy.
Thank you soo much bynow,
Erdem,
Software Engineer
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Received on Wed Jun 05 2019 - 15:30:02 PDT
