[gmx-users] Erik Lindahl,Gromos96 43a2x
lindahl at stanford.edu
Tue Feb 11 03:37:47 CET 2003
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
More information about the gromacs.org_gmx-users