Hi,
On Wed, Feb 16, 2011 at 7:18 PM, Jason Swails <jason.swails.gmail.com> wrote:
> The main precautions to take are:
>
> 1) Use iwrap=1 so that coordinates don't overflow the restart format limit.
> 2) Recognize that this can cause visualization artifacts resulting from the
> imaging.
> 3) Center and image your trajectory to get things fitted the way you want
> them.
In addition to the three points that Jason mentions, I would recommend
using the Netcdf trajectory format (ioutfm=1). It is more compact,
faster to process, and less error-prone than the ASCII format.
-Dan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 17 2011 - 05:30:04 PST