Hi,
It's probably some error in your prmtop file. If you're doing truncated
octahedron PBC (ifbox = 2), check the last line of your restrt file (box
info). They probably don't match each other.
Guanglei
Yam wrote:
> Dear all,
>
> I encounter this problem when I run sander for water
> relaxation,
>
> Error: ifbox=2 in prmtop but angles are not correct
>
> *** input error(s)
>
> Anyone encounter this problem before? Please help.
>
> regards,
> Yam
>
>
>
>
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Received on Mon Oct 10 2005 - 15:53:00 PDT
