[gmx-users] qm/mm

[Jacopo Sgrignani]

Dear All
I'm trying to use the gromacs version of QM/MM with DFTB3
made available here
http://cbp.cfn.kit.edu/joomla/index.php/downloads/18-gromacs-with-qm-mm-using-dftb3
by the group of  Tomas Kubar.

I was able to compile the code, however when I try to run the qm/mm
tutorial files I get this error:


Too many PME neighbors found for QM atom 1
Until now I was unable to understand the reasons of this error.
Can anybody help me?

thanks

Jacopo