[gmx-users] The subgroup in Hessian matrix
jia_11_osu at yahoo.com
Tue Feb 6 01:34:37 CET 2007
Is there a way to get the eigenvalue of a subgroup in
the Hessian? For example, I want to get the frenquency
between a specific residue and water; but what I
directly get from g_nmeig is the eigenvalue of the
whole space matrix.
I checked the mailing list, but can't find a way. I
hope I missed some simple method..., and greatly
appretiate your help.
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