Re: AMBER: problem with atom restraints

From: David A. Case <case.scripps.edu>
Date: Wed, 28 Feb 2007 10:54:58 -0800

On Sun, Feb 25, 2007, Ed Pate wrote:
>
> I am trying to run a MD simulation with restraints on two of the atoms.
> My md.in file and RST file with the constraints follow. I get the error
> message
>
> PGFIO-F-252/formatted read/unit=5/operation attempted after end of
> file.
> File name = /home/pate/gcn4.d/md.in formatted, sequential access
> record = 34

do you have a blank line after the DISANG line in your md.in file?

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Mar 04 2007 - 06:07:12 PST
Custom Search