[gmx-users] moleculetype CU1+ is redefined

Justin A. Lemkul jalemkul at vt.edu
Mon Jun 14 16:08:32 CEST 2010

afsaneh maleki wrote:
> Hi,
> When I generate the tpr file with grompp, I get the following error.
> "Fatal error: moleculetype CU1+ is redefined"
> I work on membrane protein that have no atomtype CU1+. why i get error 
> on CU+?
> I have cheked [moleculetypes]  in toplogy file and there  are n't 
> doplicated.
> How to remove this error?

You have probably #included some topology twice, wherein CU1+ is defined.  Maybe 
ions.itp?  Check your topology carefully.


> thanks in advance,
> Afsaneh


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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