ABF Utilities

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.