[gmx-users] error "No such moleculetype W"
jalemkul at vt.edu
Mon Dec 17 15:31:34 CET 2012
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
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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