Francois Dupradeau <Francois-Yves.Dupradeau at sa.u-picardie.fr> wrote:
I look for informations for modifying the cvff force field (for
I am interested to introduce parameters for the sulfonate group (RSO3-).
Does anyone know references for this work (or similar work of similar
In a very recent paper ( THEOCHEM 395 (1997) p 107-122) we summarized
our work on this topic (-O-SO3-, -COO- groups in sugars).
Hope that this (and papers referenced therein) may help
Massimo Ragazzi ( and Dino R. Ferro)