> I am trying to run sander in Amber7 for duplex DNA.
> The run stops with the following error:
>
> ---------------------------------------
> (NTB.ne.0 && NTP.ne.0) but IFBOX.eq.0
>
> This combination is not supported
IFBOX comes from the prmtop, 0 indicates that there
is no box for the model - and the other options
indicate that a box is needed.
> I see that the IFBOX flag in the output from amber5
> and 6 is = 1, but it is = 0 in amber7.
For the same prmtop?
Bill Ross
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Received on Tue Apr 30 2002 - 22:15:05 PDT
