[gmx-users] (no subject)

[Per Larsson]

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 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
>
>
>
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