[gmx-users] fwspider and drug-enzyme tutorials

Erik Lindahl lindahl at cbr.su.se
Thu May 10 14:40:58 CEST 2007

Hi John,

Thank you so much for your efforts - it's a great tutorial, in  
particular compared to the somewhat old/crappy/undocumented ones we  
provide in the distribution ;-)



On May 10, 2007, at 2:20 PM, John E. Kerrigan wrote:

> Hi All,
> I've updated the fwspider and drug-enzyme tutorials.  The mdp files  
> have
> been revised per Mark's excellent suggestion in regard to temperature
> coupling groups.  The Gromacs Biomolecular simulations workshop  
> recently
> held this past February in Finland and now posted online (see
> http://www.csc.fi/english/research/sciences/chemistry/courses/ 
> gmx2007 )
> was very helpful in the revision of these tutorials.  I highly  
> recommend
> the gromacs workshop at CSC.
> A number of bugs and errors in the drug-enzyme tutorial have been  
> fixed.
>  Even still, these basic tutorials have become rather large and
> unwieldy. There might still remain some typos and errors of  
> omission.  I
> hope not.  Please do feel free to contact me if you find a bug or  
> error
> and I will try to resolve quickly.
> Thanks so much for your continued use of my tutorials and very helpful
> input.
> Regards,
> John
> <kerrigje.vcf>
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