[CP2K-user] Biasing volume via PLUMED

Tom Braeckevelt tom.bra... at ugent.be
Thu Oct 15 11:34:09 UTC 2020


Hello everyone

Recently I asked a question on the plumed google group, because I saw that 
biasing the volume or the cell vectors did not change my trajectory 
compared to unbiased simulations 
(https://groups.google.com/g/plumed-users/c/GUTB3Iom838).

Apparently this is because the viral passed from Plumed is not used in 
CP2K, is it possible for this to get fixed or are there other solutions?

Kind regards

Tom
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201015/6d675c73/attachment.htm>


More information about the CP2K-user mailing list