abf-combine

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


ABF Utilities

abf-combine: version 5.271.40980cf (2020-03-02 15:18)

Name

abf-combine

Synopsis

abf-combine [OPTIONS] [--] accu1 accu2 output

Description

It combines two ABF accumulators into one. Both input accumulators have to be of the same dimensions.

Arguments

accu1
Name of file with the first ABF accumulator. If the name is '-' then the accumulator is read from the standard input. The standard input can be used for accu1 or accu2 but not for both.
accu2
Name of file with the second ABF accumulator. If the name is '-' then the accumulator is read from the standard input. The standard input can be used for accu1 or accu2 but not for both.
output
Name of file where the result will be writen. If the name is '-' then the output will be written to the standard output.

Options

--operation OP
Aritihmetic operation used in the accumulator combination. Supported operations are: 'add' and 'sub'
(Default: add)
-v, --verbose
Increase output verbosity.
--version
Output version information and exit.
-h, --help
Display this help and exit.