[gmx-users] fwspider and drug-enzyme tutorials

John E. Kerrigan kerrigje at umdnj.edu
Thu May 10 14:20:38 CEST 2007

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


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