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

Paul Fleurat-Lessard Paul.Fleurat-Lessard at ens-lyon.fr
Thu May 24 22:28:12 CEST 2007


Dear Nisanth,

Thank you for your answer. You are fully right, CONSTRAINT is working 
for CPMD/QM-MM, it was all my fault, I had a typo in my constraint list :-(

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



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