[gmx-users] Re: learning gromacs question

David van der Spoel spoel at xray.bmc.uu.se
Wed Aug 15 20:40:48 CEST 2007

On Wed, 15 Aug 2007, burkhard rammner wrote:

>Dear David,
>although I am a former biochemist (and do now 3D productions for 
>scientific purposes) I never came in contact with MD before.
>Besides my "normal" molecule visualisation stuff I now try to do protein 
>folding with gromacs.
>What I do is:
>create a protein myself, fold it to a some degree manually.
>Then I would need to do short MD to let the protein zip together, to get 
>a "scientiffically correct" folded protein.
>So, all I want to do is a hopefully simple energy minimisation and MD.
>Now my question to you is:
>Does it make sense to try to learn Gromacs myself, or would I have to 
>definitely take some semesters at the university?
>Are there resources, other than the manual and some internet tutorials 
>which could aid me?
>many thanks in advance
>and best greetings

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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