[gmx-users] Re: lipid.itp question
jlmaccal at ucalgary.ca
Wed Apr 27 17:06:53 CEST 2005
> I'm trying to understand how the nonbonded parameters for lipid-GROMOS
> interactions in lipid.itp are derived. The lipid-lipid interactions
> follow the combination rule, but the lipid-GROMOS interaction
> seem to be scaled in some way. Could anyone let me know how the
> were derived, or point me to a reference?
I believe the combination rules assign a GROMOS atom type to the lipid
types for lipid-GROMOS interactions. That is, a lipid may be type LP2
for lipid-lipid interactions, but it is treated as a GROMOS CH2 group
for the interaction between lipids and protein.
Departement of Biological Sciences
University of Calgary
email: jlmaccal at ucalgary.ca
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