Re: A problem in ABF simulation

From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Tue Nov 29 2016 - 08:16:02 CST

Hi,

You probably don't want to use the hideJacobian option for a RMSD. The
Jacobian term is very large for that coordinate (see the paper for the
equations http://www.tandfonline.com/doi/full/10.1080/00268976.2013.813594)--94eb2c190d8aa3d54f0542713b0d--

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