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?
http://ambermd.org/namd/namd_amber.html
....dac
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Received on Fri Apr 12 2019 - 06:00:06 PDT
