for the command prompt
Show this help. It can be invoked also typing help in the command prompt.
Remove the not useful files generated by NAMD2 (.bak, .old and restarts)
keeping the calculation results.
where DIRECTORY is the path of the folder to clean. It can be omitted and in this case the cleaning is performed in the current directory. To show the script help, use /? option.
Run multiple NAMD2 calculations. The input files must be prepared before to run this script (e.g. by VEGA ZZ). Usage:
NamdMulti /P CPUS /R /S DIRECTORY
|DIRECTORY||is the working directory. The default directory is the current one.|
|/P CPUS||is the number of reserved CPUs for the calculation. The default value is the maximum number of installed CPUs.|
|/R||enables the recursive mode. This is useful if you prepared NAMD calculations in separated directories.|
|/S||shutdown the system when all calculations are finished.|
Enable/disable the system shutdown when NamdMulti is already running. Usage:
where DIRECTORY is the path of the working directory used by NamdMulti.
Open Data directory showing it in Explorer. It's useful for service operations to find Data directory which path depends on the type of installation and on the version of the operating system.