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View Code? Open in Web Editor NEWRethinking Metadynamics: From Bias Potentials to Probability Distributions
Home Page: https://pubs.acs.org/doi/10.1021/acs.jpclett.0c00497
Rethinking Metadynamics: From Bias Potentials to Probability Distributions
Home Page: https://pubs.acs.org/doi/10.1021/acs.jpclett.0c00497
Hi, Does the help='the CVs to be used. Either by name or by column number, starting from 1'
in the argument of cv in line 35 of opes/postprocessing /FES_from_Reweighting.py mean that cv column number can be 1? If so, the "name_cv_x" in line 95 will be fields[2] which is column time?
Dear Dr. Invernizzi,
I have a question on the the get_fes_running-metad.sh. In this script, there is a file named 'bck.meup.sh', and it is not provided. Could you please provided for me so that I can run the get_fes_running-metad.sh. Thanks!
Best regards,
Yunjian
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