[gmx-users] Gromacs help

[Tsjerk Wassenaar]

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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