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
--
========================================
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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