AMBER Archive (2002)

Subject: nbflag

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Wed Nov 06 2002 - 21:45:02 CST

Hi again,

In my last message I was saying that there is nothing related to nbflag
in the amber manual but it is wrong. I found information in the PME
section. It says that if nbflag =0 then the nonbonded list is updated
every nsnb steps. In my case nsnb =10 and also ntpr = 10 and ntb =2 (so
PME is turned on). Still I get the error message mentioned before?

lib-4324 : UNRECOVERABLE library error
  The variable name 'NBFLAG' is unrecognized in namelist input.
Encountered during a namelist READ from unit 5
Fortran unit 5 is connected to a sequential formatted text file: "test.in"
IOT Trap

Anyone can help with a hint?

Thank you,
Ioana