[gmx-users] Gromacs help

Tuhin Samanta samantatuhin1991 at gmail.com
Mon Aug 4 08:32:09 CEST 2014


Dear,
No thats not solve the problem................can you help me by giving me
proper command then it will be useful for me.......


Tuhin Samanta

On Mon, Aug 4, 2014 at 11:44 AM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Tuhin Samanta,
>
> You have a space between the - and select. Always check for such typos.
>
> Cheers,
>
> Tsjerk
> On Aug 4, 2014 7:14 AM, "Tuhin Samanta" <samantatuhin1991 at gmail.com>
> wrote:
>
> > Dear,
> > Please tell me how i will use g_select command as i am simulating only
> > water molecules not any other reference molecule is there in my system
> but
> > i want to select a water molecule, and chose all water molecule within
> 0.4
> > nm around it, can you please tell me the proper command as i am getting
> > error with this command-
> >
> >  g_select -f npt_ir.gro -s npt_ir.tpr - select '"Nearby water" resname
> SOL
> > and within 0.4 ' -n indexg1.ndx -on indextrial.ndx
> > eroor message  is that :
> >
> > Invalid command line argument:
> > -
> > For more information and tips for troubleshooting, please check the
> GROMACS
> > website at http://www.gromacs.org/Documentation/Errors
> >
> >
> > Tuhin Samanta
> > --
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