[gmx-developers] QMMM and simple search

Pia Toelle pia.toelle at bccms.uni-bremen.de
Wed Jul 8 14:02:48 CEST 2009


I would like use QMMM in a non periodic system. I am using Gromacs 4.0.5.

I noticed, that QMMM does not work together with "ns_type = Simple".

Did anyone already adapt the function "ns_simple_core" for QMMM (as it
is mentioned in the comment of 2005 in the code)?

Pia Tölle

More information about the gromacs.org_gmx-developers mailing list