[CP2K-user] [CP2K:20829] Free energy post-processing of cp2k metadynamics
sh X
hsupright at gmail.com
Tue Oct 29 01:19:57 UTC 2024
hello,
whenI try to calculate the free energy of metadynamics by graph.psmp:
graph.psmp -ndim 4 -ndw 1 2 -file ANM-100K-1.restart -cp2k
The free energy value of the fes.dat file is always 0. What happens?
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