[gmx-users] (no subject)

[Justin A. Lemkul]

For warnings/errors, etc. please check the archive and wiki before posting.  I 
just responded to a similar issue a few days ago:

http://www.gromacs.org/pipermail/gmx-users/2008-June/034786.html

-Justin

alkasrivastava at iitb.ac.in wrote:
> 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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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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