[gmx-users] Regarding neutralization of lipid bilayer
mark.abraham at anu.edu.au
Wed Jul 4 16:05:51 CEST 2007
> Dear gmx users,
> I built POPE+POPG (total 128 lipid molecules)
> lipid bilayer in 3:1 ratio. POPE has neutral charge
> and POPG has one unit of negative charge.To this lipid
> molecules 3941 water molecules are added.
> While creating bilayer.tpr file, it is giving non-zero
> total charge: -4.534399e+01 related information was
> shown below.
This suggests your [molecule] definitions for these POPE and POPG don't
agree with what you think they should be :-) Check the totals of their
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