[CPMD-list] How to compile CPMD with GROMOS96

[Paul Fleurat-Lessard]

Dear Dr. Yuming Sun,

> To perform QM/MM simulations, we got an official GROMOS 96 license.
> However, when we compiled with -qmmm,  we always got error like "IPO
> link: can not find "MM_Interface/mm_add_hydrogen.o". We just don't know
> how to get the MM_interface.

In order to perform a QM/MM simulation, you need a modified version of
GROMOS. To obtain this, contact the group of U. Röthlisberger.
Everything is explained on:

http://lcbcpc21.epfl.ch/Research/qmmm_code.html

Regards,
Paul.

-- 
Fleurat-Lessard Paul, Lecturer  e-mail: Paul.Fleurat-Lessard at ens-lyon.fr
Laboratoire de Chimie
Ecole Normale Supérieure de Lyon              Tel: + 33 (0)4 72 72 81 54
46, Allée d'Italie                            Fax: + 33 (0)4 72 72 88 60
69364 Lyon Cedex 07