[gmx-users] Best Lipid parameters...

jozef hritz hritz at tom.fos.su.se
Fri Apr 26 18:58:10 CEST 2002

	Hi Erik,

> The ffG43a2x is an extension where one of my diploma students 
> reparametrized carbons to suit the CH3 and CH2 for long chains. These 
> parameters reproduce the area/lipid of at least DPPC within 1% of the 
> experimental value (it is slightly dependent on the size of your system 
> too). We've used it for tons of simulations with very good results.
> There are a newer set of Gromos96 carbon parameters which should improve 
> the situation significantly, but I've not been able to test it myself 
> and it's not included in the distribution yet.

I understood this point, but the question is if it is also possible use
for protein/membrane/water systems without adding parameters describing
interactions between atoms of proteins and membrane. Do You think
combination rules for LJ are enough?


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