[CPMD-list] Bond length constraint in a QMMM simulation

[Paul Fleurat-Lessard]

Dear Cpmd'ers,

I am using the Gromos-QM/MM version of the CPMD code, and I would like 
to constrain a bond length between two MM atoms. I tried to add the 
constraint into the CONSTRAINTS block of the &ATOMS list, but it seems 
that it has no effect.
Should I constrain this bond in the Gromos input or topology file directly ?

Thanks in advance,
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