Abf-samples

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Navigation: Documentation / Methods / Adaptive Biasing Force Method / ABF:Utilities / abf-samples


ABF Utilities

Name

abf-samples

Synopsis

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

Description

It prints the 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 printed. If the name is '-' then the output will be written to the standard output.