[CP2K:233] Re: Tutorial on cp2k
teodor... at gmail.com
Fri Aug 31 15:02:07 CEST 2007
On 31 Aug 2007, at 14:45, Luca wrote:
> I understand ....like the installation :-)
Well if you managed already a successful installation you're beyond
the the top of the mountain ;-).. It's all downhill then ;-) LOL
> 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.
Great! That's what I think is a winning strategy.. I mean people
learning how to use cp2k and willing to share their knowledge with
maybe spending a couple of hours of their time writing good notes and
The Google Group was also created in order to allow this kind of
exchange more easily (uploading/downloading files and infos)..
> I hope in your aid.
No problem.. sure you can have my help!
> 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 ;-)
>> 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.
More information about the CP2K-user