From: Christian Jorgensen (christian.jorgensen_at_merton.ox.ac.uk)
Date: Thu May 19 2011 - 18:31:03 CDT
Hi all, in the NAMD manual it says:
"The default minimizer uses a sophisticated conjugate gradient and line search algorithm with much better performance than the older velocity quenching method".
Could anyone elaborate a bit on this? Is it CGM via the Fletcher-Reeves algorithm? Where does the LS algorithm enter here and what would its role be
when CGM is already employed?
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:18 CST