[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 ;-)
Cheers,
Erik
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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