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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
