[gmx-users] (no subject)

JMandumpal jesbman at rediffmail.com
Fri Jul 18 04:50:29 CEST 2008


  
I think, setting tc groups = system     will solve this issue.

On Thu, 17 Jul 2008 Justin A.Lemkul wrote :
>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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