you will probably need to provide your sander/pmemd scripts, and the output
files.
On Wed, Apr 13, 2022 at 6:44 AM Juliette Newell <
juliette.newell.postgrad.manchester.ac.uk> wrote:
> Dear Amber Users,
>
> I am trying to run tREMD in implicit solvent, when I run with pmemd.mpi,
> when I run with serial sander the system has no issues. When running with
> pmemd.MPI, I get the error Coordinate resetting cannot be accomplished,
> deviation is too large.
>
> Is anyone please able to explain why?
>
> Best wishes,
> Juliette
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Received on Wed Apr 13 2022 - 07:00:02 PDT
