accu-info
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accu-info: version 6.380.1d87074 (2021-07-26 16:36)
Name
accu-info
Synopsis
accu-info [OPTIONS] [--] accuname action [section]
Description
accu-info prints info about the PMF accumulator file and extracts data from it.
Arguments
accuname Input name of PMF accumulator or '-' to read it from the standard input.
action Requested action:
** info - print summary about the accumulator
** list-sections - print available sections
** get-section - get data from the section
** nsamples - print number of samples in bins
** micf - print mean ICF forces (only the ABF simulations)
action Requested action:
** info - print summary about the accumulator
** list-sections - print available sections
** get-section - get data from the section
** nsamples - print number of samples in bins
** micf - print mean ICF forces (only the ABF simulations)
Options
| -l, --limit LIMIT Only bins containing more samples than NUMBER will be reported. (Default: 0)
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| -i, --item CV Select CV for data printing. (Default: 1)
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| --nognuplot Do not print delimiters between records.
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| --noheader Do not print header to the output.
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| --fx FORMAT FORMAT for printing values of collective variables. (Default: %15.7e)
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| --fe FORMAT FORMAT for printing values of section data. (Default: %15.7e)
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| -v, --verbose Increase output verbosity.
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| --version Output version information and exit.
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| -h, --help Display this help and exit.
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