[gmx-users] Erik Lindahl,Gromos96 43a2x

[Erik Lindahl]

On Monday, Feb 10, 2003, at 18:19 US/Pacific, nanyu101 wrote:

> Dear Dr.Erik Lindahl,
>   Thanks for your prompt reply about my puzzle of Gromos force field 
> for n-alkane.In Gromacs 3.1.4.,there are only Gromos96 43a2.I have 
> read Daura X.'s paper"an improved Gromos 96 force field for Aliphatic 
> Hydrocarbons in the condensed phase" and D.P.Delieman's paper 
> "Structures of near and hydrated 1-Octanol from computer 
> simulations".Can I use Daura X.'s modified parameters in Gromos43a2 
> force field for my polyester and bilayer system.Thanks.

Yes, I'm sure those parameters will be fine.

And, as I said, the 43a2x extended version is available from the 
contributions section of the www.gromacs.org website, not in the main 
distribution.

Cheers,

Erik