Subject: When is 14 less than 13?

From: [email-masked]
Date: Thu, 29 Aug 2002 19:40:11 -0400 (EDT)

Hi all 

I have another strange problem.  

I'm running a PBC simulation in CHARMM.  It crashes and I get the 
following error message:

 ***** LEVEL  0 WARNING FROM <NBONDS> *****
      ***** CUTNB is larger than CUTIM: List incomplete.
      ******************************************
      BOMLEV (  0) IS REACHED - TERMINATING. WRNLEV IS -5

Yet, in my input file as shown below

DYNA  START VERLET  NSTEP 40000 TIMESTEP 0.001 IHBFRQ 10 -
IPRFRQ 1000 IHTFRQ 100 IEQFRQ 0 NTRFRQ 0 NSAVC 100 ISEED  314159 -
NSAVV 0 FIRSTT 100 FINALT 300 IUNCRD 21  IUNREAD 23 CDIE EPS 1.0 GROUP 
SWITCH -
IUNWRI 20 ISVFRQ 1000 INBFRQ 20 TEMINC 0.5 CUTNB 13.0 CTOFNB 12.0 CTONNB 
10.0 -
TWINDL -3.0 TWINDH 3.0 IASORS 1 IASVEL 1 ICHECW 1 VSWITCH IPRFRQ 1000 -
cutim 14.0 imgfrq 5

you can CLEARLT see that CUTNB (13.0) is LESS than CUTIM (14.0), and not 
LARGER.  What gives????

Richard