On Wed, 15 Mar 2006 17:21:52 -0600
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.
If all the atoms of your protein or solvent are not
included
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.
XAvier
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