[gmx-users] error "No such moleculetype W"

[Justin Lemkul]

On 12/17/12 9:24 AM, Kieu Thu Nguyen wrote:
> Dear All,
>
> When i do the "Step Four: Adding Ions"in the tutorial "KALP-15 in DPPC", it
> appears the error:
>
> Fatal error:
> No such moleculetype W
>
> I checked .top file and included.itp files, they have definded water
> molecule type name is "W".
>
> What happens ?
>

There's got to be something wrong with what's #included or how it's named.  The 
error is pretty straightforward.

Also note that you are not, in fact, doing the tutorial - you are following its 
suggested method with some different system.  I cannot guarantee that the 
tutorial is suited for whatever you're trying to do.  The workflow might be 
similar, but other aspects (practical considerations, .mdp files, etc) may be 
different.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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