Hi all
I have all the parameters and RESP charges for a series of organosilver complexes and I'm now trying to create mol2 files via antechamber for use with leap. Antechamber doesn't recognise the Ag atom type and I'm now asking what is the best way to define new atom types? I'm assuming this can be done manually by following the rules at the bottom of ATOMTYPE files found in /amber20_src/dat/antechamber?
Thank you in advance
Sam
University of Huddersfield inspiring global professionals.
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Received on Thu Nov 04 2021 - 08:30:02 PDT
