Re: [AMBER] Convergence checking in Advanced TI calculation:

From: Kankana Bhattacharjee via AMBER <amber.ambermd.org>
Date: Thu, 22 Aug 2024 14:46:22 +0530

Dear AMBER users,

Kindly help me to get the plot of dV/d𝞴 as a function of all 𝞴 values
for the complex and aq system from advanced TI calculations.

Thanks & Regards
Kankana Bhattacharjee


On Thu, Aug 22, 2024 at 9:27 AM Kankana Bhattacharjee <
kankana.bhattacharjee_phd21.ashoka.edu.in> wrote:

> Dear AMBER users,
>
> I would like to see the dV/d𝞴 as a function of all 𝞴 values for the
> complex and aq system. How can I achieve this job if I use ACES calculation
> ?
> Your suggestions would be highly appreciated.
>
> Thanks & Regards
> Kankana Bhattacharjee
> Ph.D. Scholar
> Department of Chemistry
> Ashoka University
> Sonipat, Haryana
>
>
>
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Received on Thu Aug 22 2024 - 02:30:02 PDT
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