Dear Amber users,
I’m trying to parametrize an artificial nucleotide while keeping the charge on certain atoms and the total charge fixed. I have already tried some suggestions from the mailing list, amber manual and the Advanced tutorial A1 to use QM calculations + resp but I’ve not been able to do it yet. I was wondering if you know of any straight-forward way of doing this before going deep into troubleshooting what I’m doing. I think I might be missing some examples or proper use of commands.
Regards,
Reza
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Received on Tue Nov 16 2021 - 16:30:02 PST
