protein modelers

From: talafous \\at// curly.chem.cwru.edu (Joe Talafous)
Subject: protein modelers
Date: Tue, 18 Apr 1995 14:03:45 -0500 (EDT)

 Dear Fellows,
 I'd like to get a feel for the feasibility of a
 project for the Ohio Supercomputer for which I
 might write a possible grant.  Could you drop
 me your phone number and/or e-mail address if you've
 worked with a Cray Y/MP before with CHARMm?
 I'd like to get an idea of the number of picoseconds
 that I can get out of molecular dynamics per CRAY
 hour in CHARMm, within an order of magnitude.
 Please tell me of any reasonable CPUtime approximations
 that you used.
 I'm working on a 45 residue peptide
 that is extremely important, yet very difficult to
 study experimentally.  Its bioactivity is conformationally
 dependent and folding is driven by both charges and
 hydrophobicity, so solvent will have to be included.
 An accurate modeling may provide some idea as to what is
 going on...
 Thank you for any insights you may have,
 Joseph Talafous, Ph. D.
 Case Western Reserve University