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{{DISPLAYTITLE:abf-trajectory}} | |||
Navigation: [[Documentation]] / [[Methods]] / [[Adaptive Biasing Force Method]] / [[ABF:Utilities]] / [[abf-trajectory]] | Navigation: [[Documentation]] / [[Methods]] / [[Adaptive Biasing Force Method]] / [[ABF:Utilities]] / [[abf-trajectory]] | ||
---- | ---- | ||
{{ABFUtils}} | {{ABFUtils}} | ||
'''Name''' | <div style="text-align: center">abf-trajectory: version 5.271.40980cf (2020-03-02 15:18)</div>'''Name''' | ||
abf-trajectory | <span style="margin-left: 15px;">abf-trajectory</span> | ||
'''Synopsis''' | '''Synopsis''' | ||
<span style="color: maroon;">abf-trajectory</span> <span style="color: blue;">[OPTIONS]</span> [--] <span style="color: purple;">trjname accuname </span> | <span style="color: maroon; margin-left: 15px;">abf-trajectory</span> <span style="color: blue;">[OPTIONS]</span> [--] <span style="color: purple;">trjname</span> <span style="color: purple;">accuname</span> | ||
'''Description''' | '''Description''' | ||
It extracts a single snapshot from the ABF accumulator trajectory. | <p style="text-indent: 1em; text-align: justify;">It extracts a single snapshot from the ABF accumulator trajectory.</p> | ||
'''Arguments''' | '''Arguments''' | ||
{| style="margin-left: 2em; width: | {| style="margin-left: 2em; width: 95%;" | ||
|- style="vertical-align: top; background-color: #e6e6e6;" | |- style="vertical-align: top; background-color: #e6e6e6;" | ||
| <span style="color: purple;">trjname</span><br/> | | <span style="color: purple;">trjname</span><br/><div style="margin-left: 30px;">Name of file containing the ABF accumulator trajectory. If the name is '-' then the trajectory is read from the standard input.</div> | ||
< | |||
|- style="vertical-align: top;" | |- style="vertical-align: top;" | ||
| <span style="color: purple;">accuname</span><br/> | | <span style="color: purple;">accuname</span><br/><div style="margin-left: 30px;">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.</div> | ||
< | |||
|} | |} | ||
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{| style="margin-left: 2em; width: 95%;" | {| style="margin-left: 2em; width: 95%;" | ||
|- style="vertical-align: top; background-color: #e6e6e6;" | |- style="vertical-align: top; background-color: #e6e6e6;" | ||
|<span style="color: blue;">-s, --snapshot NUMBER</span><br/>< | |<span style="color: blue;">-s, --snapshot NUMBER</span><br/><div style="margin-left: 30px;">Index of extracted snapshot (counted from 1).</div><span style="color:purple; margin-left: 30px;">(Default: 1)</span> | ||
|- style="vertical-align: top; " | |- style="vertical-align: top;" | ||
|<span style="color: blue;">-v, --verbose</span><br/>< | |<span style="color: blue;">-v, --verbose</span><br/><div style="margin-left: 30px;">Increase output verbosity.</div> | ||
|- style="vertical-align: top; background-color: #e6e6e6;" | |- style="vertical-align: top; background-color: #e6e6e6;" | ||
|<span style="color: blue;">--version</span><br/>< | |<span style="color: blue;">--version</span><br/><div style="margin-left: 30px;">Output version information and exit.</div> | ||
|- style="vertical-align: top; " | |- style="vertical-align: top;" | ||
|<span style="color: blue;">-h, --help</span><br/>< | |<span style="color: blue;">-h, --help</span><br/><div style="margin-left: 30px;">Display this help and exit.</div> | ||
|} | |} | ||
Latest revision as of 16:49, 6 March 2020
Navigation: Documentation / Methods / Adaptive Biasing Force Method / ABF:Utilities / abf-trajectory
ABF Utilities
abf-trajectory: version 5.271.40980cf (2020-03-02 15:18)
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.
|