[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 

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

-------------- 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