Re: Gyration in colvars doesn't work with eABF.

From: Haohao Fu (
Date: Thu Jun 15 2017 - 02:17:55 CDT

Hi, Hong,

I tested eabf using radius of gyration as a coarse variable in both 1D and
2D PMF calculation. Everything seems normal. You may provide more details
of your simulation.


2017-06-14 19:49 GMT+08:00 yjcoshc <>:

> Hello everyone,
> I try to use radius of gyration as a reaction coordinate which is defined
> in colvars to run a eABF simulation. However, it does not work, and does
> not show any error message. When I use it to run an equilibrium simulation,
> it works. Does anyone know what happened?
> Thanks,
> hong

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