From: Jean-François Fabre (JeanFrancois.Fabre_at_ensiacet.fr)
Date: Tue Jun 14 2016 - 10:48:55 CDT
Dear all,
I try to perform a simulation of an oxidized phospholipid with a
hydroperoxide -OOH. I have to use CHARMM forcefield to compare with
other molecules but it does not recognize the atom type of the oxygen
-_O_OH. Is there a simple way to parametrize the forcefield to simulate
this molecule or do I have to change the forcefield.
Thank you for your answer !
Regards,
Jean-François Fabre
-- *************************************************** Jean-François Fabre Ingénieur d'études Laboratoire de Chimie Agro-Industrielle (LCAI) UMR 1010 INRA-INPT/ENSIACET 4 allée Emile Monso 31030 Toulouse cedex 4 FRANCE Tél: 05 34 32 35 25 E-mail: JeanFrancois.Fabre_at_ensiacet.fr ****************************************************
This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:22:15 CST