[gmx-users] any alternative methods?

Mark Abraham Mark.Abraham at anu.edu.au
Tue Aug 21 08:25:45 CEST 2012


On 21/08/2012 4:00 PM, Albert wrote:
> Dear:
>
>   I am going to calculate the area/lipids for my membane system and I 
> found that GridMAT for area/lipids calculation is not that reliable 
> since I calculate by XY/(0.5 lipids number) for the pure well 
> equilbirated POPC lipids system, my values is 67 which is close to 
> experimental data but GridMAT give me something 72.....
>   I am just wondering is there any alternative methods?

Since that calculation is one of the main purposes of GridMAT, I'd 
suspect you're comparing two different quantities, or not calculating 
one correctly.

Mark



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