[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:
>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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