[gmx-users] Normal Modes
    jjvc 
    jair at iq.ufrj.br
       
    Wed Dec 14 18:33:27 CET 2005
    
    
  
I'm doing a normal mode analysis of my protein (1FLT) but some eigenvalues are 
negative.
I did an energy minimization in 15 steps using l-bfgs minimizer until the norm 
of the force reach the value of  1.67842228266599e-09 and the maximum force 
is 9.42625899014056e-09
The values of the negative eigenvalues after g_anaeig anlysis are:
   -0.00056073
   -0.00406724
   -0.00636182
These values really means that the protein is not in an energy well?
Should I do an even better minimization?
Thanks
jjvc
    
    
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