[gmx-users] ref_tau error message

[Maria Sabaye Moghaddam]

Thanks Xavier, but I don't know what that means.  That is I don't know
where to look for this problem or how
to fix it. I am very new with gromacs and I am following the steps 
by reading the manual and the Getting Started.  I don't see much detail 
about any of these there.  Can anyone help me with this?

Best,
Maria.


>
>I am getting:
>....
>....
>Making dummy/rest group for T-Coupling containing 2 elements
>Fatal error: Not enough ref_t and tau_t values!
>
>changing the ref_t and tau_t values in name.mdp doesn't change the 
>outcome.  Does anyone know what I should do?
>
That is probably because you have atoms not included in the different subset
of atoms (group of atoms) included in the different baths of temperature.

XAvier

-- 
----------------------------------------------

   Xavier Periole - Ph.D.

   Dept. of Biophysical Chemistry / MD Group 
   Univ. of Groningen
   Nijenborgh 4
   9747 AG Groningen
   The Netherlands

   Tel: +31-503634329
   Fax: +31-503634800
   email: x.periole at chem.rug.nl
   web-page: http://md.chem.rug.nl/~periole
   
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