[gmx-users] About grompp error. "Not enough ref_t and tau_t values."

[David]

On Thu, 2005-07-21 at 11:48 -0300, Monique Brito wrote:
> 
> Hi averybody!
> 
> I'm trying to run a simulations and I've been
> obtained the same message in grompp:
> 
> 
> checking input for internal consistency...
> calling /lib/cpp...
> processing topology...
> Generated 1284 of the 1485 non-bonded parameter
> combinations
> Excluding 3 bonded neighbours for Protein_A 1
> Excluding 3 bonded neighbours for Protein_B 1
> Excluding 3 bonded neighbours for UNk 1
> WARNING 1 [file "rt.top", line 39]:
>   System has non-zero total charge: 3.556006e+00
> 
> processing coordinates...
> double-checking input for internal consistency...
> Velocities were taken from a Maxwell distribution
> at 300 K
> renumbering atomtypes...
> converting bonded parameters...
> #      BONDS:   30753
> #     ANGLES:   60152
> #      PDIHS:   26940
> #      IDIHS:   26630
> #       LJ14:   55158
> initialising group options...
> processing index file...
> Warning: file does not end with a newline, last
> line:
> 7825 7826 7827 7828 7829 7830 7831 7832 7833 7834
> 7835
'
add an empty line to your index file at the end.


> Making dummy/rest group for T-Coupling containing
> 2179 elements
> Fatal error: Not enough ref_t and tau_t values!
> 
> 
> I've been reading in the gromacs users questions
> that this may be a problem
> with the index file, but I don't think in my case
> would be that.
> 
> Is there another possibility?
> 
> Thanks in advance,
> 
> Monique Brito
> 
> 
> 
> 	
> 	
> 		
> _______________________________________________________ 
> Yahoo! Acesso Grátis - Internet rápida e grátis. 
> Instale o discador agora! http://br.acesso.yahoo.com/
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++