[gmx-users] Fatal error: moleculetype CU1+ is redefined

Justin A. Lemkul jalemkul at vt.edu
Fri May 14 13:21:52 CEST 2010

George Tzotzos wrote:
> Running grompp_d produces fatal error "moleculetype CU1+ is redefined"
> Any ideas how to overcome this? 

Somewhere in your topology, you have duplicate [moleculetype] entries for CU1+. 
  You can only have one [moleculetype] definition per molecule type.


> Greatly appreciate any help on this.
> Regards
> George


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


More information about the gromacs.org_gmx-users mailing list