[gmx-users] Cofactor - Coenzyme - Enzyme Complex

[David]

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
manual
>  
> Thanks a lot in advance.
> Tanos C. C. Franca.
> IME – Rio de Janeiro - RJ 
>  
> 
> ---
> Outgoing mail is certified Virus Free.
> Checked by AVG anti-virus system (http://www.grisoft.com).
> Version: 6.0.459 / Virus Database: 258 - Release Date: 25/02/2003
>  
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++