How to choose "MIN_DISP" value for metadynamics simulation
Abhi
abhi.... at gmail.com
Thu Nov 13 19:21:10 UTC 2014
Dear all,
I want to perform a metadynamics simulation with cp2k. As the value
of "MIN_DISP" depends on the width of Gaussian functions used to build the
bias potential,
how to select this value ("MIN_DISP") for the case where the width of the
depositing Gaussians are different for each CV.
Thanks in advance,
Abhi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141113/958aa982/attachment.htm>
More information about the CP2K-user
mailing list