[gmx-users] Not enough ref_t and tau_t values

X.Periole X.Periole at rug.nl
Thu Mar 16 09:19:09 CET 2006

On Wed, 15 Mar 2006 17:21:52 -0600
  Ashutosh Jogalekar <ajogale at emory.edu> wrote:
> I know this question has been discussed a number of 
>times on the  list, but almost everytime it has been 
>discussed in reference to the  index file.
> I am getting this error during grompp for the position 
>restrained MD  even though I am not using any index file. 
>The only groups I have are  solvent and protein and 
>accordingly, there are two columns for these  two in the 
>tau_t and ref_t fields in the pr.mdp file:
> tau_t=       0.1         0.1
> tc_grps=   protein  sol
> ref_t=        300       300
> my command is:
> grompp -f pr.mdp -c test_b4pr.gro -p test.top -o 
> In spite of this, the error is showing up again and 
>again. The top  file also has a row only for protein and 

If all the atoms of your protein or solvent are not 
in the indexes defined by default (protein sol) I think
grompp find them out of any index and then looks for more 
tau_t and ref_t ... I would check the topology of your
system. It might be uncorrect.


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