[gmx-users] Cofactor - Coenzyme - Enzyme Complex
Tanos C. C. França
tccf at epq.ime.eb.br
Thu Feb 27 21:30:56 CET 2003
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.
Thanks a lot in advance.
Tanos C. C. Franca.
IME Rio de Janeiro - RJ
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