[gmx-users] flexspce.itp vs flexspc.itp

[David van der Spoel]

On Thu, 2003-02-13 at 13:18, Alan Wilter Sousa da Silva wrote:
> 
> Hi List!
> 
> 	In our Lab we are more familiar to spce water model.
> 	Now, doing optimisations, I observed that flexspce.itp didn't seem
> complete as flexspc.itp.  Moreover, I got errors with the identification
> of OW1 in former, which had to be renamed to OW.
> 	Since differences between them are only charges, I'm thinking
> about if would it be better copying flexspc.itp a flexspce.itp and
> changing charges for the latter, wouldn't it?
doesn't matter in this case.
> 
> Cheers,
> 
> -----------------------
> Alan Wilter S. da Silva
> -----------------------
>  Laboratório de Física Biológica
>   Instituto de Biofísica Carlos Chagas Filho
>    Universidade do Brasil/UFRJ
>     Rio de Janeiro, Brasil
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. 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
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