From: Harish Srinivasan (harishlglk1992_at_gmail.com)
Date: Tue Mar 07 2017 - 07:03:16 CST
I am trying to simulate the micelles n-alkyl tri-methyl ammononium *bromide
*(nTAB) micelles. I am right now using parameters for *bromide* ion from
this paper [JPC(B) 2008, 112, 9020]
<http://pubs.acs.org/doi/abs/10.1021/jp8001614> by Joung and Cheatham.
Are there any other sources for *bromide* ion parameters ?
PS : Am also interested in finding the parameters for salicylate ions, am
using CGenFF for this purpose, but am willing to take further suggestions
in this direction.
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:09 CST