[gmx-users] The subgroup in Hessian matrix

[Tanping Li]

Dear all,


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.


Best
Tanping