Re: [AMBER] strange CUDA MD output in VMD

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Mon, 7 May 2012 07:52:52 -0400

This looks like it might be a trajectory type mismatch to me. If your
trajectory does not have box information, make sure you are loading
the trajectory as 'AMBER Coordinates'. If the trajectory does have box
info, use 'AMBER Coordinates with Periodic Box'.

-Dan

On Mon, May 7, 2012 at 2:22 AM, Albert <mailmd2011.gmail.com> wrote:
> hello:
>
>  I've finished 20 ns MD simulation with Amber PMEMD.CUDA.MPI program.
> However I found the structure looks messy when I load it into VMD:
>
> new molecule--> test.prmtop
>
> then I load md.mdcrd
>
> enclosed this email, you can find a screenshot of it.
>
> thank you very much
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon May 07 2012 - 05:00:02 PDT
Custom Search