[gmx-users] (no subject)

[alkasrivastava at iitb.ac.in]

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