intermolecular potential / nitro group
- From: Didier MATHIEU <mathieu \\at// ripault.cea.fr>
- Organization: CEA - Le Ripault
- Subject: intermolecular potential / nitro group
- Date: Wed, 08 Apr 1998 15:23:12 +0000
Dear CCLers,
Does anybody know if empirical potentials are available for nitro groups
? We are in fact looking for non-bonded (intermolecular) terms. So far
we are using AMBER95 but there is no atoms types for N and O in nitros,
to our knowledge.
Thanks.
Regards.
--
Didier MATHIEU
CEA - Le Ripault, BP 16
37260 Monts (France)
Tel. 33(0)2.47.34.41.85