GROMACS+HDF5

This is a plug-in extension to NanoEngineer-1.

Installation notes:

If you have not installed this from the main NanoEngineer-1 installer you will have to modify your preferences to allow NanoEngineer-1 to use this plugin.

- To do this, go to Tools -> Preferences -> Plug-ins

- Check the box for GROMACS and input the full path (including file name) to the mdrun.exe file which this package installed.

(ex. c:\GROMACS_HDF5\bin\mdrun.exe)

- Check the box for cpp and input the full path to the mcpp.exe file which was installed by this package.

(ex. c:\GROMACS_HDF5\bin\mcpp.exe)

Troubleshooting:

The path to these files can not have spaces in them.

examples:

c:\GROMACS_HDF5\bin\mdrun.exe

- This path is valid.

c:\Program Files\GROMACS_HDF5\bin\mdrun.exe

- Is not a valid path.