[gmx-users] question about g_nmeig again

David spoel at xray.bmc.uu.se
Tue Sep 13 18:44:10 CEST 2005


On Tue, 2005-09-13 at 11:10 -0500, Joohyun Kim wrote:
> Dear all,
> 
> Since I got any answer about my question, I would like to ask again.
> What is the unit for eigenvalue from g_nmeig based on the hessian 
> constructed by mdrun?
Normal MD units I presume (chap 2.)

> 
> If somebody knows a little bit details on these programs, let me know 
> where the source code for constructing hessian and g_nmeig are?
src/tools/gmx_nmeig.c
src/kernel/minimize.c
> 
> Joohyun Kim
> Ph. D.
> Chemistry Department
> UIC
> 
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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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