[gmx-users] Analysis in Matlab

David van der Spoel spoel at xray.bmc.uu.se
Thu Nov 25 09:05:52 CET 2004


On Wed, 2004-11-24 at 23:15 -0500, Aaron Shui wrote:
> Hi,
>  
> Is there anyway to extract and import data from gromacs trajectory files into Matlab for analysis?  Are there any third party applications which can serve as a bridge?  Thank you.
Can you be more specific?

Do you want atomic coordinates? In that case you could write them
as .g87 files.
-- 
David.
________________________________________________________________________
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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