Good morning,
I have performed a HF calculation in order to obtain a gesp file.
This file I have used antechamber to obtein a 'ac' file.
With this file I want to obtain a prepi file and his corresponding frcmod
How can I calculate it?
Which package of AMBER can help me?
Thank you in advanced for your help
Anna
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Received on Thu Jul 14 2016 - 03:00:04 PDT
