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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Received on Tue Apr 30 2002 - 21:43:31 PDT
