Re: [AMBER] GAMESS RESP

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 6 Jan 2026 09:50:50 -0700

On Tue, Jan 06, 2026, Mandar Kulkarni via AMBER wrote:
>
>I am working on modified RNA nucleotides. I want to calculate RESP charges
>with GAMESS ( could not use Gaussian and pyRED).
>
>Is there working protocol or tutorial using GAMESS for RESP charges as well
>as for building missing paraemters?

This is not really an answer to your question, but you might want to look at
Section 3.3.4 (Generation of new nucleotides using modXNA) in the Amber 2025
Reference Manual. This provides parameters and charges for many modified
RNA nucleotides.

....dac


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Received on Tue Jan 06 2026 - 09:00:02 PST
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