Check the information on the gromacs wiki about this:
http://wiki.gromacs.org/index.php/Errors#T-Coupling_group_XXX_has_fewer_than_10.25_of_the_atoms
Cheers
/Per
17 jul 2008 kl. 14.38 skrev [EMAIL PROTECTED]:
Hi all
I have installed gromacs 3.3.3 in one of my 32 machine fedora core 2.
so check i tried to to do speptide tutorial in
/usr/local/gromacs/share/gromacs/tutor/speptide
But when i m running grompp for position restraint with the command
grompp -f pr -o pr -c after_em -r after_em -p speptide
i get the following warning
WARNING 1 [file aminoacids.dat, line 1]:
T-Coupling group Protein has fewer than 10% of the atoms (191 out of
2741)
Maybe you want to try Protein and Non-Protein instead?
I tried to change SOL with non protein but getting the same warning.
is it
ok to go further with this warning
When i did grompp for full MD with the command
grompp -v -f full -o full -c after_pr -p speptide
again i m getting the same warning
WARNING 1 [file aminoacids.dat, line 1]:
T-Coupling group Protein has fewer than 10% of the atoms (191 out of
2741)
Maybe you want to try Protein and Non-Protein instead?
I tried to change SOL with non protein but getting the same warning.
I don't know what to do now and how can i overcome this, if anyone
could
help me.
Thanks
ALKA
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