Re: [AMBER] Error with angle restrain in CUDA PMEMD

From: Jason Swails <>
Date: Wed, 20 Nov 2013 07:35:13 -0500

On Wed, Nov 20, 2013 at 6:26 AM, anu chandra <> wrote:

> Dear Amber users,
> I am trying to use Amber 12 CUDA-PMEMD for an angle restrained MD
> simulation. Unfortunately, simulation terminated with following error.
> *****************************************************************************
> Warning: Error opening "Old" file from subroutine OPNMRG
> File = angle_pbc.RST
> *******************************************************************************

It seems like the angle_pbc.RST file either cannot be found or cannot be
opened. It would help to know the actual command that you're using to run
pmemd.cuda. As a note, angle_pbc.RST must be in the same folder that
you're running pmemd.cuda from, NOT the same folder as the mdin file
(unless of course the mdin file is in the same folder as you are running
pmemd.cuda in).

You should also check the permissions (if you can open it in a text editor
then that should be all the permissions you need).

Good luck,

P.S.: I'm assuming all of the tests run correctly, yes?

Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Wed Nov 20 2013 - 05:00:02 PST
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