[gmx-users] multiple eigenvectors with -linfix and the application of eigenvalues

Carsten Kutzner ckutzne at gwdg.de
Mon Dec 21 11:28:17 CET 2009

Hi Chris,

the eigenvalues (-eig) are only read/used in case of flooding. 

The behaviour for each eigenvector is solely controlled by its reference
(initial) projection, and the step size.


On Dec 19, 2009, at 5:16 PM, chris.neale at utoronto.ca wrote:

> Hello,
> When utilizing more than one eigenvector in make_edi -linfix, are the eigenvector linearly combined with their eigenvalues as coefficients, or does this combination occur in the absence of eigenvalues?
> Thank you,
> Chris.
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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