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General Questions and Answers / Re: X-Ray scattering of MD trajectory
« on: April 29, 2024, 21:53 »
Thank you, it works now, apparently I was using an old version!
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General Questions and Answers / Re: X-Ray scattering of MD trajectory
« on: April 27, 2024, 04:58 »
Thanks for the response, I saw what the manual says and was under the impression that X-Ray scattering is one of the analysis options under MD analyzer but it is not, is there something I am missing?
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General Questions and Answers / X-Ray scattering of MD trajectory
« on: April 26, 2024, 17:15 »
Is it possible to compute XRD of a molecular dynamics trajectory using QuantumATK? If possible how does one go about doing it?
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