Dear Amber-users,
When I used ptraj script like below, I was able to see eigenvalues for
each trajectory. What are those eigenvalues about? Unit is A**? Do
they mean eigenvalues of the moment of inertia tensor? If not, how can
I measure them?
--------------------------
trajin test.mdcrd
prnlev 6
vector vector1 :1-9 principal x out vec1
vector vector1 :1-9 principal y out vec2
vector vector1 :1-9 principal z out vec3
go
--------------------------
best,
Hwankyu.
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Received on Wed Jun 01 2005 - 14:53:00 PDT
