[gmx-users] Dftb as qmmm method with gromacs

[Padmani Sandhu]

Hello all,

I want to use dftb as a qmmm method with gromacs as explained in a recent
research article "
http://onlinelibrary.wiley.com/doi/10.1002/jcc.24029/abstract". When I am
trying to compile gromacs-5.0 with dftb using flag " *-DGMX_QMMM_DFTB*",
the cmake .. command is terminating with the following error:


Parse error in command line argument: -DGMX_QMMM_DFTB
Should be: VAR:type=value
CMake Error: No cmake script provided.
CMake Error: Problem processing arguments. Aborting.


I have followed all the instructions provided in the manual at website "
http://cbp.cfn.kit.edu/joomla/index.php/downloads/18-gromacs-with-qm-mm-using-dftb3".


Please help..!!!




With regards,



Padmani