Re: [AMBER] tutorial issues

From: Charo del Genio <>
Date: Fri, 9 Jul 2021 17:44:54 +0100

On 09/07/2021 15:54, Gustaf Olsson wrote:
> How long should the RESP fit step take?
> My computer has been running at 90% CPU now for about 20 and the molecule is just a small metal-organic compound?
> // Gustaf

That's very odd. Even on a relatively large system, the RESP charge fitting step is basically instantaneous (as in, the time is of the order of 1 second).



Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
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Received on Fri Jul 09 2021 - 10:00:03 PDT
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