topremixlj
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topremixlj: version 2.204.c62bd73(2018-07-04 10:11) [CATs - Conversion And Analysis Tools]
Name
topremixlj
Synopsis
topremixlj [OPTIONS] [--] INPUT OUTPUT
Description
Remix Lennard-Jones pair parameters.
Arguments
| INPUT input topology name, if '-' is provided then the topology is read from the standard input stream.
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| OUTPUT output topology name, if '-' is provided then the topology is written to the standard output stream.
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Options
| -r, --rule TYPE combining rule: LB (Lorentz-Berthelot), KG (Kong), WH (Waldman-Hagler) (Default: LB)
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| -v, --verbose increase output verbosity
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| --version output version information and exit
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| -h, --help display this help and exit
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