Abf-trajectory: Difference between revisions

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


ABF Utilities

Name

abf-trajectory

Synopsis

abf-trajectory [OPTIONS] [--] trjname accuname

Description

It extracts a single snapshot from the ABF accumulator trajectory.

Arguments

trjname

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

accuname

Name of file where a snapsphot will be printed. If the name is '-' then the output will be written to the standard output.

Options