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?
....dac
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Received on Wed Feb 16 2005 - 17:53:01 PST
