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'''Synopsis''' | '''Synopsis''' | ||
<span style="color: maroon;">abf-trajectory</span> <span style="color: blue;">[OPTIONS]</span> [--] <span style="color: purple;">trjname | <span style="color: maroon;">abf-trajectory</span> <span style="color: blue;">[OPTIONS]</span> [--] <span style="color: purple;">trjname accuname </span> | ||
'''Description''' | '''Description''' | ||
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|- 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/> | ||
<span style="margin-left: 30px;">Name of file containing the ABF accumulator. If the name is '-' then the | <span 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.</span> | ||
|- style="vertical-align: top;" | |- style="vertical-align: top;" | ||
| <span style="color: purple;">accuname</span><br/> | | <span style="color: purple;">accuname</span><br/> | ||
<span style="margin-left: 30px;">Name of file where a snapsphot will be printed. If the name is '-' then the output will be written to the standard output.</span> | <span 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.</span> | ||
|} | |} | ||
'''Options''' | '''Options''' | ||
{| style="margin-left: 2em; width: 95%;" | |||
|- style="vertical-align: top; background-color: #e6e6e6;" | |||
|<span style="color: blue;">-s, --snapshot NUMBER</span><br/><span style="margin-left: 30px;">Index of extracted snapshot (counted from 1).</span><br/><span style="color:purple; margin-left: 30px;"> (Default: 1)</span> | |||
|- style="vertical-align: top; " | |||
|<span style="color: blue;">-v, --verbose</span><br/><span style="margin-left: 30px;">Increase output verbosity.</span> | |||
|- style="vertical-align: top; background-color: #e6e6e6;" | |||
|<span style="color: blue;">--version</span><br/><span style="margin-left: 30px;">Output version information and exit.</span> | |||
|- style="vertical-align: top; " | |||
|<span style="color: blue;">-h, --help</span><br/><span style="margin-left: 30px;">Display this help and exit.</span> | |||
|} | |||
Revision as of 13:41, 18 April 2016
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 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. |