input for reaction path

Anne Milet Anne.... at
Fri Feb 24 16:40:45 UTC 2012

Dear all,

   I would like to perform metadynamics run using the reaction path collective variable.
I am wondering where the number of frames is indicated. Moreover,  there are two subsections 
named frames one in reaction_path and another one inside a second colvar which is inside reaction_path
and I do not get the difference the two.

Thanks in advance for your help,

Anne Milet


More information about the CP2K-user mailing list