Re: CZAR Estimator: grad file

From: yjcoshc (
Date: Tue Apr 24 2018 - 04:07:20 CDT

Hi Philippe,

The .zgrad only calculates the z-average spring force, the right term of
the CZAR equation in the colvars manual (page 52, eq 22), which is

The .czar.grad uses the whole equation, including the left term that has

In practical, .zgrad files are mainly used in merging stratified
windows. .czar.grad files are used as the input of numerical integration

For more you can read the description of the writeCZARwindowFile option
in the colvars manual.

Haochuan Chen

在 2018年04月24日 16:38, philippe Bourly 写道:
> Hello!
> I have a question about the CZAR estimator. What is the difference
> between the two grad file: /output/.zgrad and /output/.czar.grad?
> Which one should I use?
> Best regards,
> Philippe

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