PMF for butane rotation

ilya ily... at gmail.com
Wed Apr 30 07:28:38 UTC 2008


Thanks.

On Apr 30, 2:49 am, Teodoro Laino <teodor... at gmail.com> wrote:
> Ilya,
>
> Rachel and Gerald found an additional bug for periodic colvars. It's
> now fixed in the CVS.
> Cheers
> Teo
>
> On 23 Apr 2008, at 15:41, Teodoro Laino wrote:
>
> > Ilya,
>
> > there was a bug for the extended lagrange metadynamics in case of
> > periodic colvar (the torsion)..
> > So thanks for raising this problem..


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