[gmx-users] eigenvalue~

F JH juhow1011 at hotmail.com
Fri Feb 6 07:10:01 CET 2004


I used CHARMm normal mode analysis for my target protein and got a
reasanable result.(The first six frequencies is nearly zero).

Now I use GROMACS and run a normal mode analysis.When I use g_nmeig to
calculate my new eigenvalues,I found eigenvalue is strange.It
contains positive and negative values and the final value is much lager
than CHARMm normal modes analysis.All above was not found in my CHARMm

It's my mdp file

title                    = 0108
cpp                      = /lib/cpp
include                  = -I../top
define                   =
integrator               = nm

How should I improve my job?

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