Thank you, Dave! It seems to be working.
Much appreciated,
Sally
On Sun, Jun 18, 2023 at 5:59 AM David A Case <david.case.rutgers.edu> wrote:
> On Thu, Jun 15, 2023, Sally Pias via AMBER wrote:
> >
> >It is my understanding that the electric field parameters (efx, efy, efz,
> >and efn) are not yet implemented in pmemd.cuda. Is that correct? If so,
> are
> >there any plans to implement an electric field option for GPU simulations?
>
> Have you tried this? Section 22.2 of the Reference Manual says this: "The
> following functionality is also supported by the GPU version of
> pmemd...Support for external electric fields."
>
> I have no personal experience here, but it sounds like it's worth a try.
> Let us know if there are problems.
>
> ....dac
>
> --
Sally Pias
sallypias.gmail.com
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Received on Tue Jun 20 2023 - 09:00:02 PDT
