Hi!
Yes, those calculations can be done in a GPU.
Regards, happy quarantine
Gera!
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El mié., 1 abr. 2020 a las 12:48, Souvik Dey (<sdey8.uic.edu>) escribió:
> Dear Amber Users,
>
> I am trying to mimic a single molecule pulling experiments using MD
> simulations, and thus thinking to do steered MD simulations.
>
> I found some descriptions about it in the section 21.7 in the Amber manual.
> However, what I am now concerned is whether I can use GPU for such
> calculations, since it would take a long time to do these hundreds of
> nanoseconds long Steered MD simulations in sander.
>
> If anyone had done such calculations in AMBER, please let me know. I would
> greatly benefit from your suggestions.
>
> Thanks in advance.
>
> Regards,
> Souvik
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Received on Wed Apr 01 2020 - 09:00:03 PDT
