[gmx-users] Gromos96 43A1 is useful for bilayer

Erik Lindahl lindahl at stanford.edu
Sun Feb 9 20:24:50 CET 2003

On Saturday, Feb 8, 2003, at 17:03 US/Pacific, nanyu101 wrote:

> Dear gmx-users,
>   I want to put my ion channel into a bilayer and  my force field is 
> Gromos 43a1.Is it useful for bilayer?If not,what can I do?
> Best wishes,
> Xianhui Wu


I would use either the modified 43a2x from the contributions section on 
the website, or look up the new long-chain CH2 parameters published by 
the Gunsteren group. The default Gromos96 carbon parameters are known 
to give too low density in the chain region (just as Charmm, for 
instance), but with modified CH2/CH3 parameters it should be great.



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