On Wed, May 09, 2018, Meng Wu wrote:
>
> I am trying to do MD simulations of an channel protein under
> external electric field with Amber16. I have tried both
> 'pmemd.cuda.MPI' and 'pmemd.MPI', and my mdin file is:
Just a quick check: be sure you have applied update.12 to Amber16.
(Don't have any other ideas, since I've never used the external electric
field option myself.)
....dac
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Received on Wed May 09 2018 - 07:30:03 PDT
