Re: [AMBER] Different outputs of external electric field

From: David A Case <>
Date: Wed, 9 May 2018 10:20:33 -0400

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.)


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Received on Wed May 09 2018 - 07:30:03 PDT
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