Dihedral Angles

Gu Peihua pku at ucla.edu
Fri Feb 23 15:04:02 EST 1996


Dear Sirs or Madams,

I've been trying to write out dihedral statements for an alpha helical
domain in my model.  For whatever reason, the statements though
confirmed by a colleague of mine did not result in the formation of an
alpha helix in my dynamics run.  I am wondering whether it is the way
I've been writing my dihedral statements.

assign (resid 144 and name c)
       (resid 145 and name n)
       (resid 145 and name ca)
       (resid 145 and name c) 50 -57 0 2
assign (resid 145 and name n)
       (resid 145 and name ca)
       (resid 145 and name c)
       (resid 146 and name n) 50 -47 0 2

Please tell me if those statements are correct.  If these statements are
right, what other possibilities could there be for not having an sa.inp
run result in an alpha helical confirmation.  I have been successful in
using just noe statements to generate a helix.  I just haven't be so
lucky with dihedral statements.


Peihua




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