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Using Abaqus Student version for mollecular modeling (input file xx.pdb)

Submitted by mweka007 on
research
Using Abaqus Student version for mollecular modeling (input file xx.pdb)

Dear all,

I am a new abaqus users, I would like to compute FEM for given .pdb. Any suggestion or advice.

Thank you in advance for you response.

bernad

Hi, What are you trying to do in Abaqus?

I am also from NTU, have been working in abaqus for sometime..

Bernad

Mon, 01/27/2014 - 07:21 Permalink
mweka007

Hi Bernard,

Well, I have already got my .odb, .fil, .dat  of my protein now  want to extract Eigenvector for each mode then compute the Protein B-factor.

Christian,

bope0001 [at] e.ntu.edu.sg

Wed, 10/01/2014 - 10:48 Permalink
mweka007

Any idea how to extract eigenvector for each mode in .odb file?
I have the Eigenvalue, Freq and generalized mass.
The problem is I need to extract the eigenvector (3Nx3N) which mean that the first 6 should be zero of all mode which will be use to calculate the Boltzman factor (B-Factor) for my protein.

Regards,

Christian

Wed, 10/01/2014 - 09:03 Permalink