Abf-trajectory

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

---

ABF Utilities

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

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 trajectory. If the name is '-' then the trajectory is read from the standard input.

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

Options

-s, --snapshot NUMBER Index of extracted snapshot (counted from 1). (Default: 1)

-v, --verbose Increase output verbosity.

--version Output version information and exit.

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