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Questions and answers > MD simulations

Unnatural base pair helical parameters

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sarkagaku:
Hi

Finally succeed in calculating helical base parameters for unnatural base pairs.
I used following procedure
1) converted gromacs trajectory to amber trajectory format using Amber CPPTRAJ
2)  Used modified cpptraj for unnatural base pairs
https://github.com/Amber-MD/cpptraj/pull/806

Thanks
Regards
Shaikh

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Created and maintained by Dr. Xiang-Jun Lu [律祥俊] (xiangjun@x3dna.org)
The Bussemaker Laboratory at the Department of Biological Sciences, Columbia University.