abf-samples

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ABF Utilities

• abf-accuinfo
• abf-admin
• abf-combine
• abf-derivatives
• abf-integrate
• abf-mask
• abf-optgprhyprms
• abf-samples
• abf-server
• abf-trajectory

abf-samples: version 5.271.40980cf (2020-03-02 15:18)

Name

abf-samples

Synopsis

abf-samples [OPTIONS] [--] accuname sname

Description

It prints number of samples accumulated during the ABF calculation.

Arguments

accuname Name of file containing the ABF accumulator. If the name is '-' then the accumulator is read from the standard input.

sname Name of file where the info about samples will be printed. If the name is '-' then the output will be written to the standard output.

Options

-l, --limit NUMBER Only bins containing more samples than NUMBER are considered as properly sampled. (Default: 0)

--nognuplot Do not print delimiters between records.

--fx FORMAT Output FORMAT, which will be used to print values of collective variables. (Default: %15.7e)

--fe FORMAT Output FORMAT, which will be used to print samples. (Default: %d)

-v, --verbose Increase output verbosity.

--version Output version information and exit.

-h, --help Display this help and exit.