[gmx-users] Cofactor - Coenzyme - Enzyme Complex
spoel at xray.bmc.uu.se
Thu Feb 27 21:03:10 CET 2003
On Thu, 2003-02-27 at 21:30, Tanos C. C. França wrote:
> Hi Folks !!!!!!!!
> I´m trying to build a Coenzyme Cofactor - Enzyme complex using the
> GROMACS Tutorial for Drug Enzyme complex
> As I wish to dock two different molecules to my enzyme´s active site, I
> named then DRG (as in the tutorial) and COF. But when I run grompp, the
> program gives me the message: Fatal error: not such moleculetype
> COF. I tryed several other names to the second molecule but grompp
> always halted. So, I would like to know which moleculetype name should I
> use that GROMACS will recognize in this case.
you have some kind of error in your topology. check chapter 5 of the
> Thanks a lot in advance.
> Tanos C. C. Franca.
> IME Rio de Janeiro - RJ
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