[gmx-users] Normal Modes
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
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
The values of the negative eigenvalues after g_anaeig anlysis are:
These values really means that the protein is not in an energy well?
Should I do an even better minimization?
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