[gmx-users] ffgmx forcefield with Br and I

[Pedro Alexandre Lapido Loureiro]

Citando alexander yakovenko <yakovenko_a at ukr.net>:

> 
> Hi all,
> Does anybody have ffgmx forcefield with halogene atom types Br and I ?
> Kind regards,
>  
Hello,
I am using Br, with parameters
sigma = 0.37 nm
epsilon = 0.2941 kcal/mol
from:
"Structure, effective pair potential and properties of halothane
D. Scharf, K. Laasonen
Chem Phys Lett, 258 (1996) 276-282"

Cheers

--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil