[gmx-users] binary conversion of hessian

[David van der Spoel]

On Mon, 2005-06-13 at 14:45 -0700, Michael Grabe wrote:
> 
> 
> ______________________________________________________________________
> 
> hello,
> 
> i am new to gromacs, and if this is answered in the manuals, i
> apologize.
> i am running normal mode calculations. i actually want to diagonalize
> the 
> hessian matrix in MATLAB but i don't know how to convert the matrix
> from 
> binary to something more readable. i see that there is gmxdump for
> the 
> trajectory files and whatnot, but what about a conversion program for
> the 
> hessian? moreover, if someone has a script for reading the hessian
> *.mtx 
> file into Matlab that would be even better. 
try g_traj -ox

> 
> thanks,
> michael
> --------------------------------------------------------------------------------------------------
> Michael Grabe, Ph.D. 
> HHMI/UCSF
> Genetics Development & Behavioral Science Building
> 1550 4th Street, GD 482
> San Francisco, CA 94143-0725
> tel: ++ 415.476.0421 
> http://itsa.ucsf.edu/~mgrabe
> 
> 
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-- 
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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