[gmx-users] any alternative methods?
Mark.Abraham at anu.edu.au
Tue Aug 21 08:25:45 CEST 2012
On 21/08/2012 4:00 PM, Albert wrote:
> 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
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