On 3/15/06, Ashutosh Jogalekar <
[EMAIL PROTECTED]> 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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Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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