ABF Utilities

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.

Abf-samples