CNS constraints

Django Sussman django at
Thu Nov 9 14:24:20 EST 2000


I am trying to use CNS to do molecular dynamics on an extended poly
peptide chain.

The only constraints that I have are distance constraints between two
atoms on different residues.  I have tried making a pseudo NOE that
constrains the distance between these two atoms but either this doesn't
work or I've completely screwed it up (I'm leaning toward the
latter).  Does anyone have a sample script that I can use or perhaps a
better idea on how to do this?

Thank you,


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