Ravi,
I've recently done an all-atom minimization of a system comprising 2.6
million atoms (protein, membrane, water, counterions) with (serial) sander.
You should not have any issues at all.
Cheers,
Todd
On Fri, Nov 10, 2023 at 5:16 AM Singh,Ravi via AMBER <amber.ambermd.org>
wrote:
> Hello Sir/Madam,
> The limitation for molecular system in amber is 999999 atoms. However, I
> have to simulate a system with more than this limitation. I am concerned
> with if it can produce the right results.
> Can we increase this limitation ??
>
>
>
> Thankyou for your comments
> Ravi Singh
>
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Received on Fri Nov 10 2023 - 15:00:02 PST
