From: Raul Alcantara (realcant_at_artsci.wustl.edu)
Date: Wed Apr 19 2006 - 12:30:13 CDT
Hello:
I have the following problem: I want to find the average work done to
pull a small ligand through the matrix of a protein... however the
possible escape path is not a straight line. So my question to any
people who have played with the source code is it worth my effort to
modify the code to do a pulling experiment in a curved path (would this
severely hurt performance) or would I just be better off by breaking the
curve into smaller linear segments and doing independent pulling
experiments for each of those.
Thank you
-- Raul E Alcantara Washington University in St Louis Center for Computational Biology 700 S Euclid Ave Saint Louis MO 63110 Tel (314) 362-8778
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