Tutorial on cp2k

Luca bellu... at unisi.it
Fri Aug 31 12:45:12 UTC 2007

I understand ....like the installation :-)

I want to do:
1-Perform MM MD for protein in solution like NAMD or ORAC MD package.
2-Perform QM MD for molecules.
3-Perform QM/MM MD for enzyme. QM for active site.
and I hope....
4-"Metadynamics" for reaction coordinate in enzyme active site.

When i will do this I can write my notes
and make a pseudo-tutorial for cp2k users.
I hope in your aid.

On Aug 31, 1:53 pm, Teodoro Laino <teodor... at gmail.com> wrote:
> Ciao Luca,
> unfortunately a tutorial is not still available. Then you may ask:
> how can a new user approach cp2k?
> Mainly with a great persistency and motivation ;-)
> Having a look at the examples (take care that most of regtests have
> parameters set in order to run fast and absolutely
> have no sense for production runs), starting your own input and
> asking to the google group for  things that you don't really
> understand or that look weird.
> There's some sort pg plan for a tutorial but it will take some time..
> Hope though these difficulties you will enjoy CP2K ;-)
> Teo
> On 31 Aug 2007, at 13:47, Luca wrote:
> > Dear cp2k users,
> > Where can i find tutorial or guide for cp2k?
> > The examples in cp2k/tests/ and "CP2K input reference" command list
> > are very good but not enough for
> > new users.
> > Thanks

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