[gmx-users] polarizable simulation parameters

[limingru]

Hi all,	 I want to simulate ethanol molecules at a polarizable system using GMX.  How to get parameters of the polarizable ethanol model (ethanol.itp) in 2013Drude force field? and how to build a ethanol.pdb file including Drudes and lone pairs. Thanks in advance.--------------------------------


School of Nuclear Sci and Tec,
Beijing Normal University

Room.110,Teaching-Research Complex,
NO.10 WenHuiYuan St,Haiding District,
Beijing 100089,China  

E-mail: mruli at sina.com 
        mruli at mail.bnu.edu.cn