Scripts
for the command prompt

 

Manual.cmd

Show this help. It can be invoked also typing help in the command prompt.

 

NamdClean.cmd

Remove the not useful files generated by NAMD2 (.bak, .old and restarts) keeping the calculation results.
Usage:

NamdClean  DIRECTORY

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.

 

NamdMulti.cmd

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

where:

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.

 

NamdShutDown.cmd

Enable/disable the system shutdown when NamdMulti is already running. Usage:

NamdShutDown   DIRECTORY

where DIRECTORY is the path of the working directory used by NamdMulti.

 

OpenDataDir.cmd

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.