AMBER Archive (2002)

Subject: Re: IFBOX=0 error in amber7

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> 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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• Next message: Mark Beardsell: "AMBER 7 - more problems with leap"
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• Maybe in reply to: Eva Darian: "IFBOX=0 error in amber7"
• Next in thread: David Case: "Re: about ew_legal.h"
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