[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

MODELLER and external constraints (such as NMR)



Dear MODELLER users:

      I wonder whether anyone have tried to incoporate external
constraints such as those from NMR in modeling.

      I have some NMR constraints derived from NOE and want to
incorporate them into molecular dynamics step, but have no idea how to
get start, such as the format (page 72 manual) and the command in TOP
file.  By the way, I have got the model using "fully automated
comparative modeling."  

      Thanks for any comments.




Best regards,


Chunhua Yuan