Re: [AMBER] namd and amber md energies do not match

From: David A Case <>
Date: Fri, 12 Apr 2019 08:37:56 -0400

On Fri, Apr 12, 2019, Akshay Prabhakant wrote:

>I have performed single step minimization, on a solvated, counter-ionised
>apo-CAP system, ensuring all of the parameters I could check to be the same
>in amber-md and namd, but the vanderwaal and electrostatic interaction
>energy values for both of the softwares seems to be different.

Have you done everything suggested on this web page?


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Received on Fri Apr 12 2019 - 06:00:06 PDT
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