From: David A. Case <>
Date: Wed, 16 Feb 2005 08:49:18 -0800

On Wed, Feb 16, 2005, Beale, John wrote:

> I am trying to do a restrained minimization of a small peptide in an
> octahedral box of TIP3P water. When I run Sander I am getting the
> following error message:
> Error: ifbox=2 in prmtop but angles are not correct

There is something wrong with your prmtop file. The first number under
%FLAG BOX_DIMENSIONS should be 1.09471219E+02. How did you create the
prmtop file?

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Feb 16 2005 - 17:53:01 PST
Custom Search