[CP2K-user] [CP2K:20865] Data loss in HILLS files during metadynamics simulation with PLUMED

Nacho Sanz Martinez naxo.sanzmartinez at gmail.com
Wed Nov 6 08:58:51 UTC 2024


  Hello everyone, I am running a metadynamics simulation using PLUMED as a 
plugin to add the external potential, and in this simulation, I have two 
walkers. This methodology has always worked well for me, but this morning I 
noticed that the HILLS files were missing data from t=0 to t=23 ps in both 
HILLS files. Is there any way to recover this information? 23 ps represents 
a significant amount of simulation time and computation  

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