[gmx-users] File editing - only one layer of water around a molecule

[Justin A. Lemkul]

On 4/30/12 11:41 AM, Lara Bunte wrote:
> Hi
>
> I have the command
>
>
> trjconv -n index.ndx -f molecule.pdb -o output.pdb
>
>
> that don't work because of the missing topol.tpr file. You wrote:
>
>> Supply your .pdb file to the -s flag
>
> Where exactly do I have to write -s in my command?
>
>

Anywhere.  Order of arguments is irrelevant to all Gromacs commands.

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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