[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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