[gmx-developers] b0=sqrt(rA) or b0=rA

[hess at sbc.su.se]

The (ridiculous) G96 bond type is harmonic in
and stores the equilibrium distance squared.

Berk

> Hi,
>
> why is the sqrt in line 215 of gmxcheck.c:
>       b0 = sqrt(idef->iparams[type].harmonic.rA);
>
> Is this a bug or something I don't understand?
>
> Roland
>
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