David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 4 08:34:00 CEST 2008
shenle at sjtu.edu.cn wrote:
> Hi Gromacs users,
> I am new to gromacs.Sorry if this is a simple question,but i couldn't
> find anything though internet.
> My research is microtubles. considered the microtubles as an orthotropic
> shell,i want to calculate the
> elastic constant though MD. my method is to apply external load on the
> microtubles,then calculate its
> deformmations. my question is: can i use gromacs to do this.IN other
> words, can gromacs be used to
> calculate the deformmations of microtubles? Any suggestion and
> conclusion is appriciate.
You want to read up on AFM pulling and similar methods. Check the wiki.
> thanks very much.
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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