[gmx-users] polarizable simulation parameters

limingru mruli at sina.com
Fri Oct 27 16:01:24 CEST 2017

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

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