[gmx-users] microtubles

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.
Probably yes.

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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