[gmx-users] Not enough ref_t and tau_t values
muta.mestri at gmail.com
Wed Mar 15 23:28:14 CET 2006
I assume, it is seeing your index.ndx file by default. So, check if that
file exists and if so, make proper corrections.
On 3/15/06, 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 test_em.tpr
> In spite of this, the error is showing up again and again. The top
> file also has a row only for protein and solvent.
> Help would be gladly appreciated as I cannot think of any reason
> since all the files look ok.
> Thanks very much
> Ashutosh Jogalekar
> Emory University
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