[gmx-users] Erik Lindahl,Gromos96 43a2x

nanyu101 nanyu101 at sina.com
Tue Feb 11 03:19:28 CET 2003


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.

Best wishes,
Xianhui Wu
______________________________________

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