[gmx-users] Not enough ref_t and tau_t values

[Florian Haberl]

Hi,

>  I have system with non-zero total charge (+2)and i have added 2 CL- ions
> using genion but i dont know how to manipulate the parameters for
> T-coupling when I run grompp -full it says "Not enough ref_t and tau_t
> values"
>
> The values in the full.mdp are
>
> T-couple Berendsen
> tc groups    protein     SOL
> tau_t          0.1       0.1
> ref_t          300       300

you have to add your cl ions there too
add here 

Cl

0.1
300


greetings,

Florian

-- 
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 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de
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