[gmx-users] information for analysis

Louic Vermeer louic at louic.nl
Thu Jan 31 18:46:49 CET 2008


On Thursday 31 January 2008 18:36, pragya chohan wrote:
> hello users
> please can you tell me how to calculate surface area per lipid, orer
> parameters, area per head group of lipid from simulation thanks in advance

There are different methods to calculate the area per lipid, check the 
literature. The easiest way is to divide the area of the box by the number of 
lipids.
To get the order parameters you need to make an index file that contains all 
the atoms you want to include in the order parameter calculation. Use 
make_ndx. After that, try g_order. You may also want to read the manual.

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