Choice of bromide ion LJ parameters

From: Harish Srinivasan (
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]
<> by Joung and Cheatham.

Are there any other sources for *bromide* ion parameters ?

Thank you

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.

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