Minimisation algorithm

From: Christian Jorgensen (
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?


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