Subject: CCL: help please with ECEPP package

From: "Kieran F Lim (Lim Pak Kwan)" <[email-masked]>
Date: Thu, 28 Jun 2001 15:36:15 +1000

Dear all,

I am new to the protein conformation analysis package ECEPP.

As test cases, we have run test calculations for
           (end unit) -- amino acid -- (end unit)
where amino acid = Proline, Alanine or Histidine.
We'd like to confirm our minimum-energy configurations and compare
to experiment to get a better "feel" for the program.

Are the experimental configurations (all dihedral angles)
published? (We have only those for alanine from Floudas's papers.)

For glycine and cystiene, ECEPP refuses to calculate
anything saying that these amino acids should have "bridges".
How can I get rid of the "bridges"?

Thank you

Kieran
------------------------------------------------------------
  Dr Kieran F Lim             Biol. and Chemical Sciences
  (Lim Pak Kwan)              Deakin University
  ph:  + [61] (3) 5227-2146   Geelong          VIC   3217
  fax: + [61] (3) 5227-1040   AUSTRALIA
  mailto:[email-masked]    http://www.deakin.edu.au/~lim