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.
-Justin
Greatly appreciate any help on this.
Regards
George
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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