From: Hua Wong (wong_at_ebgm.jussieu.fr)
Date: Thu Apr 15 2004 - 02:27:38 CDT
I have a problem with setting up minimization.
I start up with a protein with averagely good absolute deviation of omega torsion (used Procheck).
And after using NAMD to minimize it, I end up with a minimized model but a rather awful lot of residues with abnormal deviation of omega torsion (Omega absolute mean deviation between 14 and 16)
Am I doing something wrong or is it normal? Is there a setting I forgot?
Here I join the .namd file I use to run NAMD.
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