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reconstructing the free energy surface, prints -0.000 values for Z column in V.final.out and V.dynamic.out #3

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nasirchem opened this issue May 30, 2018 · 0 comments
Open

reconstructing the free energy surface, prints -0.000 values for Z column in V.final.out and V.dynamic.out #3

nasirchem opened this issue May 30, 2018 · 0 comments

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@nasirchem
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input-output files.zip

Sir/
I am trying for reconstructing the free energy surface from CPMD metadynamics calculation using Vreco_CPMD-master; but It prints -0.00000 for Z columns in both V.final.out and V.dynamic.out. I have attached the files; and looking forward to hear. Thank you for your help.
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@nasirchem