AMBER Archive (2002)

Subject: IFBOX=0 error in amber7

From: Eva Darian (e_dar13_at_yahoo.com)
Date: Tue Apr 30 2002 - 23:43:31 CDT

Dear amberers,

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

 *** input error(s)
---------------------------------------

When I try to define ifbox in the input I get the core
dump:

---------------------------------------
lib-4324 : UNRECOVERABLE library error
  The variable name 'IFBOX' is unrecognized in
namelist input.

Encountered during a namelist READ from unit 5
Fortran unit 5 is connected to a sequential formatted
text file:
  "ta15_md_prod_sand7test.in"
IOT Trap
----------------------------------------

I see that the IFBOX flag in the output from amber5
and 6 is = 1, but it is = 0 in amber7.

How could I fix this error?

Thanks
Eva.

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