[CP2K:968] PMF for butane rotation

Teodoro Laino teodor... at gmail.com
Tue Apr 29 22:49:03 UTC 2008


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..

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20080430/31b885ed/attachment.htm>


More information about the CP2K-user mailing list