Re: colvars and drude don't play nice?

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Jan 13 2015 - 18:31:38 CST

Do any other colvars work besides those two?
On Jan 13, 2015 7:09 PM, "JC Gumbart" <gumbart_at_ks.uiuc.edu> wrote:

> It seems that certain colvars don’t work with the drude force field, such
> as alpha and hbond. Because the alpha colvar might involve drude
> particles, I could see it being a problem, but hbond should only involve
> the two atoms provided? The alpha colvar returns “nan” and hbond is always
> maxed at 1.0.
>
> Any thoughts on how to fix it or deal with it? I tested it in the latest
> NAMD 2.10. I can provide files if needed.
>
> Thanks!
> JC
>
>

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